2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid

C11H16O2 — CID 15013222

IUPAC2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)C1CCC(=C)C(C(=O)O)C1
InChIInChI=1S/C11H16O2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h9-10H,1,3-6H2,2H3,(H,12,13)
InChIKeyIJWSAKFMDMYACP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds2

About 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid

2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid (PubChem CID 15013222) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid
PubChem CID15013222
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(C)C1CCC(=C)C(C(=O)O)C1
InChIInChI=1S/C11H16O2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h9-10H,1,3-6H2,2H3,(H,12,13)
InChIKeyIJWSAKFMDMYACP-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid 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

4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Hymenoic acid
CID 25014973
3-Isopropenyl-6-oxoheptanoic acid
CID 4488713
Dihydroperillic acid
CID 381256
Alpha-(4-isobutyl(cyclohexen-1-yl))propionic acid
CID 118107
1-Cyclohexeneacetic acid, alpha-ethyl-4-isobutyl-, dl-
CID 118108
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-
CID 206756
1-Cyclohexene-1-acetic acid, 4-cyclohexyl-alpha-methyl-
CID 206757
1-Cyclohexene-1-acetic acid, alpha,alpha-dimethyl-4-(2-methylpropyl)-, (+-)-
CID 3039525
2-(Prop-2-en-1-yl)heptanoicacid
CID 13010746
3-Methylenenonanoic acid
CID 118788
(3R)-3-isopropenyl-6-oxoheptanoic acid
CID 443189

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid (CID 15013222) is 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid is C=C(C)C1CCC(=C)C(C(=O)O)C1.
What is the InChIKey of 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is IJWSAKFMDMYACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h9-10H,1,3-6H2,2H3,(H,12,13).
What are the key properties of 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid?
2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 180.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 15013222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).