ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate

C12H20O2 — CID 177482165

IUPACethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
SMILESC/C=C1/CCCC[C@@H]1CC(=O)OCC
InChIInChI=1S/C12H20O2/c1-3-10-7-5-6-8-11(10)9-12(13)14-4-2/h3,11H,4-9H2,1-2H3/b10-3-/t11-/m1/s1
InChIKeyHHOSZXIROXWABG-LBQOUHFTSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds3

About ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate

ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate (PubChem CID 177482165) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
PubChem CID177482165
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Nameethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate
SMILESC/C=C1/CCCC[C@@H]1CC(=O)OCC
InChIInChI=1S/C12H20O2/c1-3-10-7-5-6-8-11(10)9-12(13)14-4-2/h3,11H,4-9H2,1-2H3/b10-3-/t11-/m1/s1
InChIKeyHHOSZXIROXWABG-LBQOUHFTSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2E)-2-ethylidenecyclohexyl]propan-2-one
CID 15472619
ethyl 2-[(1S)-2-oxocyclopentyl]acetate
CID 1268264
ethyl 2-cyano-2-[2-(2-ethoxy-2-oxoethyl)cyclohexylidene]acetate
CID 70845171
ethyl 2-(2-methylcyclohex-2-en-1-yl)acetate
CID 10726121
ethyl 2-(2,3-dioxocyclopentyl)acetate
CID 91389872
ethyl 2-[3-(dimethylaminomethylidene)-2-oxocyclohexyl]acetate
CID 77225072
2-(2-ethoxy-2-oxoethylidene)cyclohexane-1-carboxylic acid
CID 137371720
2-ethylidenecyclohexane-1-carboxylic acid
CID 57189544
ethyl 4-[(2-oxocyclohexyl)methyl]pent-4-enoate
CID 15880917
1-[(2Z)-2-(methoxymethylidene)cyclohexyl]propan-2-one
CID 23238515
ethane;(2E)-1-ethyl-2-ethylidenecyclopentane
CID 91157114
ethyl 2-(3-methyl-2-oxocyclopentyl)acetate
CID 14039356

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate?
The IUPAC name of ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate (CID 177482165) is ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate is C/C=C1/CCCC[C@@H]1CC(=O)OCC.
What is the InChIKey of ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate?
The InChIKey is HHOSZXIROXWABG-LBQOUHFTSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-10-7-5-6-8-11(10)9-12(13)14-4-2/h3,11H,4-9H2,1-2H3/b10-3-/t11-/m1/s1.
What are the key properties of ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate?
ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate has a molecular weight of 196.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2Z)-2-ethylidenecyclohexyl]acetate is sourced from PubChem (CID 177482165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).