2,2,6-Trimethyl-6-(4-methylphenyl)oxane

PubChem CID: 5316214

Connections displayed (default: 10).

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Compound Synonyms	SCHEMBL15770556
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(C2CCCCC2)CC1
Np Classifier Class	Bisabolane sesquiterpenoids
Deep Smiles	Ccccccc6))CC)CCCCO6)C)C
Heavy Atom Count	16.0
Classyfire Class	Benzene and substituted derivatives
Scaffold Graph Node Level	C1CCC(C2CCCCO2)CC1
Classyfire Subclass	Toluenes
Isotope Atom Count	0.0
Molecular Complexity	238.0
Database Name	imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	2,2,6-trimethyl-6-(4-methylphenyl)oxane
Veber Rule	True
Classyfire Superclass	Benzenoids
Xlogp	3.6
Gsk 4 400 Rule	False
Molecular Formula	C15H22O
Scaffold Graph Node Bond Level	c1ccc(C2CCCCO2)cc1
Inchi Key	NKSUFXDOOSPKIX-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Rotatable Bond Count	1.0
Synonyms	curcumene ether
Esol Class	Soluble
Functional Groups	COC
Compound Name	2,2,6-Trimethyl-6-(4-methylphenyl)oxane
Exact Mass	218.167
Formal Charge	0.0
Monoisotopic Mass	218.167
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	218.33
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Inchi	InChI=1S/C15H22O/c1-12-6-8-13(9-7-12)15(4)11-5-10-14(2,3)16-15/h6-9H,5,10-11H2,1-4H3
Smiles	CC1=CC=C(C=C1)C2(CCCC(O2)(C)C)C
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Sesquiterpenoids

1. Outgoing r'ship FOUND_IN to/from Alisma Orientalis (Plant) Rel Props:Reference:
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18. Outgoing r'ship FOUND_IN to/from Platycladus Orientalis (Plant) Rel Props:Reference:ISBN:9788185042084
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27. Outgoing r'ship FOUND_IN to/from Thuja Occidentalis (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Thuja Orientalis (Plant) Rel Props:Source_db:npass_chem_all
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37. Outgoing r'ship FOUND_IN to/from Wulfenia Orientalis (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Zosima Orientalis (Plant) Rel Props:Reference:

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2,2,6-Trimethyl-6-(4-methylphenyl)oxane

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Phytochemical Properties

Associated Connections 38

Plant Connections 38