(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate

C12H18O2 — CID 86205503

IUPAC(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate
SMILESC=CC1(OC(=O)C(C)C)C=CCCC1
InChIInChI=1S/C12H18O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h4,6,8,10H,1,5,7,9H2,2-3H3
InChIKeyYXWDSMXMVVGKBM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds3

About (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate

(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate (PubChem CID 86205503) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate
PubChem CID86205503
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate
SMILESC=CC1(OC(=O)C(C)C)C=CCCC1
InChIInChI=1S/C12H18O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h4,6,8,10H,1,5,7,9H2,2-3H3
InChIKeyYXWDSMXMVVGKBM-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate 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

prop-2-enoyl 1-methylcyclohex-2-ene-1-carboxylate
CID 155678353
(1-methylcyclohex-2-en-1-yl) 2,2,3-trimethylbutanoate
CID 21131315
CID 136861606
CID 136861606
S-[(1S)-1-prop-2-enylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamothioate
CID 11243004
(1-methylcyclohex-2-en-1-yl) (E)-2-methylbut-2-enoate
CID 21131316
bis(1-tert-butylcyclohex-2-en-1-yl) carbonate
CID 175202256
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
2-methylbut-3-en-2-yl 1-hydroperoxycyclohex-2-ene-1-carboxylate
CID 173386708
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
(1-propan-2-ylcyclohexyl) prop-2-enoate
CID 58734584
2-hydroxy-2-[(1R)-1-methylcyclohex-2-en-1-yl]acetic acid
CID 131026802
1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290

Frequently Asked Questions

What is the IUPAC name of (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate?
The IUPAC name of (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate (CID 86205503) is (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate.
What is the SMILES notation for (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate?
The canonical SMILES for (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate is C=CC1(OC(=O)C(C)C)C=CCCC1.
What is the InChIKey of (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate?
The InChIKey is YXWDSMXMVVGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-4-12(8-6-5-7-9-12)14-11(13)10(2)3/h4,6,8,10H,1,5,7,9H2,2-3H3.
What are the key properties of (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate?
(1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate has a molecular weight of 194.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenylcyclohex-2-en-1-yl) 2-methylpropanoate is sourced from PubChem (CID 86205503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).