2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-

PubChem CID: 21116838

Connections displayed (default: 10).

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Compound Synonyms	DTXSID801140685, 2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-, ((3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl) acetate, [(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate, 56779-64-7, cis-Acetoxylinalool oxide, IRWLDXUJBJPFNV-PWSUYJOCSA-N, DTXCID001572305, Q63408930, (3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl acetate, (-)-2,6,6-TRIMETHYL-2(R)-VINYL-5(R)-ACETOXYTETRAHYDROPYRAN
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCCCC1
Np Classifier Class	Acyclic monoterpenoids
Deep Smiles	C=C[C@@]C)CC[C@H]CO6)C)C))OC=O)C
Heavy Atom Count	15.0
Classyfire Class	Oxanes
Scaffold Graph Node Level	C1CCOCC1
Isotope Atom Count	0.0
Molecular Complexity	270.0
Database Name	cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	2.0
Iupac Name	[(3R,6R)-6-ethenyl-2,2,6-trimethyloxan-3-yl] acetate
Prediction Hob	1.0
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	2.0
Gsk 4 400 Rule	True
Molecular Formula	C12H20O3
Scaffold Graph Node Bond Level	C1CCOCC1
Prediction Swissadme	1.0
Inchi Key	IRWLDXUJBJPFNV-PWSUYJOCSA-N
Silicos It Class	Soluble
Fcsp3	0.75
Logs	-2.536
Rotatable Bond Count	3.0
Logd	1.72
Synonyms	cis-acetoxylinalool oxide
Esol Class	Soluble
Functional Groups	C=CC, CC(=O)OC, COC
Compound Name	2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-
Prediction Hob Swissadme	1.0
Exact Mass	212.141
Formal Charge	0.0
Monoisotopic Mass	212.141
Hydrogen Bond Acceptor Count	3.0
Molecular Weight	212.28
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	2.0
Total Bond Stereocenter Count	0.0
Lipinski Rule Of 5	True
Esol	-2.2244917999999996
Inchi	InChI=1S/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3/t10-,12+/m1/s1
Smiles	CC(=O)O[C@@H]1CC[C@](OC1(C)C)(C)C=C
Nring	1.0
Np Classifier Biosynthetic Pathway	Terpenoids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Np Classifier Superclass	Monoterpenoids

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101. Outgoing r'ship FOUND_IN to/from Cupressus Lusitanica (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1686
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168. Outgoing r'ship FOUND_IN to/from Vicia Balansae (Plant) Rel Props:Reference:

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2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-

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Phytochemical Properties

Associated Connections 168

Plant Connections 168