2-methylpropyl 2-(2-methylidenecyclohexyl)acetate

C13H22O2 — CID 145129290

IUPAC2-methylpropyl 2-(2-methylidenecyclohexyl)acetate
SMILESC=C1CCCCC1CC(=O)OCC(C)C
InChIInChI=1S/C13H22O2/c1-10(2)9-15-13(14)8-12-7-5-4-6-11(12)3/h10,12H,3-9H2,1-2H3
InChIKeyGZHRFCREDWCNBI-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds4

About 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate

2-methylpropyl 2-(2-methylidenecyclohexyl)acetate (PubChem CID 145129290) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methylidenecyclohexyl)acetate
PubChem CID145129290
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-methylpropyl 2-(2-methylidenecyclohexyl)acetate
SMILESC=C1CCCCC1CC(=O)OCC(C)C
InChIInChI=1S/C13H22O2/c1-10(2)9-15-13(14)8-12-7-5-4-6-11(12)3/h10,12H,3-9H2,1-2H3
InChIKeyGZHRFCREDWCNBI-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylpropyl 2-(2-methylidenecyclohexyl)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

Citronellyl dodecanoate
CID 21263168
Citronellyl decanoate
CID 57353225
Isobutyl 10-undecenoate
CID 79457
Rhodinyl propionate
CID 25113548
Rhodinyl butyrate, (+-)-
CID 61093
Rhodinyl isovalerate
CID 25113547
Rhodinyl butyrate
CID 71587790
Rhodinyl isobutyrate
CID 71587859
Cyclohexanecarboxylic acid, 2,2-dimethyl-6-methylene-, methyl ester
CID 11095260
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
CID 443168
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one
CID 443182
3,7-Dimethyloct-6-en-1-yl tetradecanoate
CID 85793156

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate?
The IUPAC name of 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate (CID 145129290) is 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate.
What is the SMILES notation for 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate?
The canonical SMILES for 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate is C=C1CCCCC1CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate?
The InChIKey is GZHRFCREDWCNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10(2)9-15-13(14)8-12-7-5-4-6-11(12)3/h10,12H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate?
2-methylpropyl 2-(2-methylidenecyclohexyl)acetate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methylidenecyclohexyl)acetate is sourced from PubChem (CID 145129290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).