[(1R)-3-methylcyclohex-2-en-1-yl] acetate

C9H14O2 — CID 5325692

IUPAC[(1R)-3-methylcyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C)CCC1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyLGVFVTJGGYGQOS-SECBINFHSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds1

About [(1R)-3-methylcyclohex-2-en-1-yl] acetate

[(1R)-3-methylcyclohex-2-en-1-yl] acetate (PubChem CID 5325692) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is [(1R)-3-methylcyclohex-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-3-methylcyclohex-2-en-1-yl] acetate
PubChem CID5325692
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name[(1R)-3-methylcyclohex-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=C(C)CCC1
InChIInChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3/t9-/m1/s1
InChIKeyLGVFVTJGGYGQOS-SECBINFHSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carvyl acetate
CID 7335
2-Nonenoic acid gamma-lactone
CID 89559
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
4,8-Dimethyl-3,7-nonadien-2-ol acetate
CID 5365819
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
2-Cyclohexen-1-ol, 3-methyl-, acetate
CID 3018590
[(6E)-2-methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-en-4-yl] acetate
CID 10730218
5-(3,3-Dimethyloxiranyl)-3-methylpent-2-en-1-yl acetate
CID 5951297
(+)-sarcophytoxin B
CID 14705435

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-methylcyclohex-2-en-1-yl] acetate?
The IUPAC name of [(1R)-3-methylcyclohex-2-en-1-yl] acetate (CID 5325692) is [(1R)-3-methylcyclohex-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-3-methylcyclohex-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-3-methylcyclohex-2-en-1-yl] acetate is CC(=O)O[C@H]1C=C(C)CCC1.
What is the InChIKey of [(1R)-3-methylcyclohex-2-en-1-yl] acetate?
The InChIKey is LGVFVTJGGYGQOS-SECBINFHSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-4-3-5-9(6-7)11-8(2)10/h6,9H,3-5H2,1-2H3/t9-/m1/s1.
What are the key properties of [(1R)-3-methylcyclohex-2-en-1-yl] acetate?
[(1R)-3-methylcyclohex-2-en-1-yl] acetate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-methylcyclohex-2-en-1-yl] acetate is sourced from PubChem (CID 5325692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).