methyl 2-(4-propylidenecyclohexyl)acetate

C12H20O2 — CID 54378474

IUPACmethyl 2-(4-propylidenecyclohexyl)acetate
SMILESCCC=C1CCC(CC(=O)OC)CC1
InChIInChI=1S/C12H20O2/c1-3-4-10-5-7-11(8-6-10)9-12(13)14-2/h4,11H,3,5-9H2,1-2H3/b10-4-
InChIKeyUYGBZLWRVLLOHI-WMZJFQQLSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds3

About methyl 2-(4-propylidenecyclohexyl)acetate

methyl 2-(4-propylidenecyclohexyl)acetate (PubChem CID 54378474) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl 2-(4-propylidenecyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-propylidenecyclohexyl)acetate
PubChem CID54378474
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl 2-(4-propylidenecyclohexyl)acetate
SMILESCCC=C1CCC(CC(=O)OC)CC1
InChIInChI=1S/C12H20O2/c1-3-4-10-5-7-11(8-6-10)9-12(13)14-2/h4,11H,3,5-9H2,1-2H3/b10-4-
InChIKeyUYGBZLWRVLLOHI-WMZJFQQLSA-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 methyl 2-(4-propylidenecyclohexyl)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

Methyl rhodinolate
CID 61290
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225
Ethylhexyl Oleate
CID 6438028
Butyloctyl Oleate
CID 71587487
Ethyl 2-ethyl-6,6-dimethylcyclohex-2-ene-1-carboxylate
CID 93847
3-Cyclohexene-1-carboxylic acid, 1,4-dimethyl-, methyl ester
CID 100881
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
Oxacyclopentadec-10-en-2-one, 13-methyl-
CID 56842685
Hymenoic acid
CID 25014973
3,7-Dimethyloct-6-en-1-yl tetradecanoate
CID 85793156

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-propylidenecyclohexyl)acetate?
The IUPAC name of methyl 2-(4-propylidenecyclohexyl)acetate (CID 54378474) is methyl 2-(4-propylidenecyclohexyl)acetate.
What is the SMILES notation for methyl 2-(4-propylidenecyclohexyl)acetate?
The canonical SMILES for methyl 2-(4-propylidenecyclohexyl)acetate is CCC=C1CCC(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-(4-propylidenecyclohexyl)acetate?
The InChIKey is UYGBZLWRVLLOHI-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-10-5-7-11(8-6-10)9-12(13)14-2/h4,11H,3,5-9H2,1-2H3/b10-4-.
What are the key properties of methyl 2-(4-propylidenecyclohexyl)acetate?
methyl 2-(4-propylidenecyclohexyl)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 methyl 2-(4-propylidenecyclohexyl)acetate is sourced from PubChem (CID 54378474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).