p-Mentha-2,4-diene

PubChem CID: 6428962

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Compound Synonyms	p-Mentha-2,4-diene, .delta.-Terpinene, 2,4-p-Menthadiene, 586-68-5, 38QSP402UI, Menthol, cis-1,3,cis-1,4-, UNII-38QSP402UI, 3-Cyclohexadiene, 5-methyl-2-(1-methylethyl)-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2R,5R)-rel-, Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1alpha,2alpha,5alpha)-, DTXSID90423880, AAIXZDBTEWDLSG-UHFFFAOYSA-N, 2-Isopropyl-5-methyl-1,3-cyclohexadiene, 5-methyl-2-(propan-2-yl)cyclohexa-1,3-diene, 5-Methyl-2-(1-methylethyl)-1,3-cyclohexadiene, Q27256806
Ghose Rule	False
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	0.0
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Monocyclic monoterpenoids
Deep Smiles	CCCC=CC=C6))CC)C
Heavy Atom Count	10.0
Classyfire Class	Prenol lipids
Description	Constituent of Valencia orange oil. p-Mentha-2,4-diene is found in citrus.
Scaffold Graph Node Level	C1CCCCC1
Classyfire Subclass	Monoterpenoids
Isotope Atom Count	0.0
Molecular Complexity	161.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	5-methyl-2-propan-2-ylcyclohexa-1,3-diene
Prediction Hob	1.0
Class	Prenol lipids
Veber Rule	True
Classyfire Superclass	Lipids and lipid-like molecules
Xlogp	3.2
Superclass	Lipids and lipid-like molecules
Subclass	Monoterpenoids
Gsk 4 400 Rule	True
Molecular Formula	C10H16
Scaffold Graph Node Bond Level	C1=CCCC=C1
Prediction Swissadme	0.0
Inchi Key	AAIXZDBTEWDLSG-UHFFFAOYSA-N
Silicos It Class	Soluble
Fcsp3	0.6
Logs	-4.032
Rotatable Bond Count	1.0
Logd	3.8
Synonyms	2-Isopropyl-5-methyl-1,3-cyclohexadiene, 5-Methyl-2-(1-methylethyl)-1,3-cyclohexadiene, p-mentha-2,4-diene, δ-terpinene
Esol Class	Soluble
Functional Groups	CC1=CCCC=C1
Compound Name	p-Mentha-2,4-diene
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	136.125
Formal Charge	0.0
Monoisotopic Mass	136.125
Hydrogen Bond Acceptor Count	0.0
Molecular Weight	136.23
Gi Absorption	False
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aliphatic homomonocyclic compounds
Lipinski Rule Of 5	True
Esol	-2.6220756
Inchi	InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6-9H,5H2,1-3H3
Smiles	CC1CC=C(C=C1)C(C)C
Nring	1.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Menthane monoterpenoids
Np Classifier Superclass	Monoterpenoids

1. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Bunias Orientalis (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Calendula Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9698610
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21. Outgoing r'ship FOUND_IN to/from Pinus Roxburghii (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2013.831563
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56. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.977569
58. Outgoing r'ship FOUND_IN to/from Tragopogon Orientalis (Plant) Rel Props:Reference:
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60. Outgoing r'ship FOUND_IN to/from Typha Orientalis (Plant) Rel Props:Reference:
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65. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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p-Mentha-2,4-diene

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Phytochemical Properties

Associated Connections 65

Plant Connections 65