ethyl 2-(1-ethenylcyclohexyl)acetate

C12H20O2 — CID 11535746

IUPACethyl 2-(1-ethenylcyclohexyl)acetate
SMILESC=CC1(CC(=O)OCC)CCCCC1
InChIInChI=1S/C12H20O2/c1-3-12(8-6-5-7-9-12)10-11(13)14-4-2/h3H,1,4-10H2,2H3
InChIKeyUSWWJTUVGRYSHE-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds4

About ethyl 2-(1-ethenylcyclohexyl)acetate

ethyl 2-(1-ethenylcyclohexyl)acetate (PubChem CID 11535746) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl 2-(1-ethenylcyclohexyl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethenylcyclohexyl)acetate
PubChem CID11535746
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl 2-(1-ethenylcyclohexyl)acetate
SMILESC=CC1(CC(=O)OCC)CCCCC1
InChIInChI=1S/C12H20O2/c1-3-12(8-6-5-7-9-12)10-11(13)14-4-2/h3H,1,4-10H2,2H3
InChIKeyUSWWJTUVGRYSHE-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
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

Ethyl 2-oxo-1-(prop-2-en-1-yl)cyclohexane-1-carboxylate
CID 300027
3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175120
3-Cyclohexene-1-carboxylic acid, 1-methyl-3-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester
CID 175121
Methyl 1-allylcyclohexanecarboxylate
CID 10932067
Ethyl (R)-1-Allyl-2-oxocyclohexanecarboxylate
CID 11106631
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
Ethyl 1-(but-3-en-1-yl)-2-oxocyclohexane-1-carboxylate
CID 13676928
Butyl (3S)-3-methyl-7-octenoate
CID 46910864
ethyl (1S,2R,6R)-2-ethenyl-2,6-dimethyl-4-oxocyclohexane-1-carboxylate
CID 13293344
ethyl (1S,2S,6R)-2-ethenyl-2,6-dimethyl-4-oxocyclohexane-1-carboxylate
CID 23258109
ethyl (1S,2S,6S)-2-ethenyl-2,6-dimethyl-4-oxocyclohexane-1-carboxylate
CID 134981214
11-Methylidene-3-oxaspiro[5.5]undecan-4-one
CID 9989846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethenylcyclohexyl)acetate?
The IUPAC name of ethyl 2-(1-ethenylcyclohexyl)acetate (CID 11535746) is ethyl 2-(1-ethenylcyclohexyl)acetate.
What is the SMILES notation for ethyl 2-(1-ethenylcyclohexyl)acetate?
The canonical SMILES for ethyl 2-(1-ethenylcyclohexyl)acetate is C=CC1(CC(=O)OCC)CCCCC1.
What is the InChIKey of ethyl 2-(1-ethenylcyclohexyl)acetate?
The InChIKey is USWWJTUVGRYSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-12(8-6-5-7-9-12)10-11(13)14-4-2/h3H,1,4-10H2,2H3.
What are the key properties of ethyl 2-(1-ethenylcyclohexyl)acetate?
ethyl 2-(1-ethenylcyclohexyl)acetate has a molecular weight of 196.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethenylcyclohexyl)acetate is sourced from PubChem (CID 11535746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).