(4,4-dimethylcyclohex-2-en-1-yl) acetate

C10H16O2 — CID 10397191

IUPAC(4,4-dimethylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(C)(C)CC1
InChIInChI=1S/C10H16O2/c1-8(11)12-9-4-6-10(2,3)7-5-9/h4,6,9H,5,7H2,1-3H3
InChIKeyWGNWOCQKBFLEOL-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.29
Rot. Bonds1

About (4,4-dimethylcyclohex-2-en-1-yl) acetate

(4,4-dimethylcyclohex-2-en-1-yl) acetate (PubChem CID 10397191) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4,4-dimethylcyclohex-2-en-1-yl) acetate.

Molecular Properties

Compound Name(4,4-dimethylcyclohex-2-en-1-yl) acetate
PubChem CID10397191
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4,4-dimethylcyclohex-2-en-1-yl) acetate
SMILESCC(=O)OC1C=CC(C)(C)CC1
InChIInChI=1S/C10H16O2/c1-8(11)12-9-4-6-10(2,3)7-5-9/h4,6,9H,5,7H2,1-3H3
InChIKeyWGNWOCQKBFLEOL-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.29
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
Carvyl propionate, (+-)-
CID 7336
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-
CID 102024
Carvyl acetate, (1S,5R)-
CID 81505
Carvyl acetate, (1S,5S)-
CID 81544
Artemisyl acetate
CID 524254
3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, 2-acetate
CID 103607
2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, (1R-trans)-
CID 6951358
2-Cyclohexen-1-ol, 5-methylene-6-(1-methylethenyl)-, acetate, (1S-cis)-
CID 208438
Carvyl propionate, cis-(+/-)-
CID 688054
Npc94448
CID 545235
cis-Carvyl propionate
CID 688051

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohex-2-en-1-yl) acetate?
The IUPAC name of (4,4-dimethylcyclohex-2-en-1-yl) acetate (CID 10397191) is (4,4-dimethylcyclohex-2-en-1-yl) acetate.
What is the SMILES notation for (4,4-dimethylcyclohex-2-en-1-yl) acetate?
The canonical SMILES for (4,4-dimethylcyclohex-2-en-1-yl) acetate is CC(=O)OC1C=CC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohex-2-en-1-yl) acetate?
The InChIKey is WGNWOCQKBFLEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)12-9-4-6-10(2,3)7-5-9/h4,6,9H,5,7H2,1-3H3.
What are the key properties of (4,4-dimethylcyclohex-2-en-1-yl) acetate?
(4,4-dimethylcyclohex-2-en-1-yl) acetate has a molecular weight of 168.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohex-2-en-1-yl) acetate is sourced from PubChem (CID 10397191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).