2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

C15H26O2 — CID 81021482

IUPAC2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(CC)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C15H26O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10,12-14H,4-9H2,1-3H3,(H,16,17)
InChIKeyWVCRWQBCVXQPDZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.12
Rot. Bonds5

About 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid

2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 81021482) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID81021482
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
SMILESC=C(CC)CC1CC(C(C)C)CCC1C(=O)O
InChIInChI=1S/C15H26O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10,12-14H,4-9H2,1-3H3,(H,16,17)
InChIKeyWVCRWQBCVXQPDZ-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-methylidenebutyl)-4-propan-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

2-(2-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020503
2-(cyclohexylmethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81021233
2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020903
2-(3-methoxy-3-methylbutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 103019615
4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane-1-carboxylic acid
CID 81013437
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
4-propan-2-yl-1,2-bis(prop-1-en-2-yl)cyclohexane
CID 58674060
2-(4-propan-2-ylcyclohexyl)cyclopropane-1-carboxylic acid
CID 130542777
2-[(3-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020336
2-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013566
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013569
2-[(2-amino-4-pyridinyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020825

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid (CID 81021482) is 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is C=C(CC)CC1CC(C(C)C)CCC1C(=O)O.
What is the InChIKey of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is WVCRWQBCVXQPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-5-11(4)8-13-9-12(10(2)3)6-7-14(13)15(16)17/h10,12-14H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid?
2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 238.37 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylidenebutyl)-4-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 81021482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).