4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid

C14H24O2 — CID 79429129

IUPAC4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
SMILESC=C(CC)CC1(C(=O)O)CCC(C)(C)CC1
InChIInChI=1S/C14H24O2/c1-5-11(2)10-14(12(15)16)8-6-13(3,4)7-9-14/h2,5-10H2,1,3-4H3,(H,15,16)
InChIKeyOGHSFCRCCOXKJL-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.01
Rot. Bonds4

About 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid

4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid (PubChem CID 79429129) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
PubChem CID79429129
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
SMILESC=C(CC)CC1(C(=O)O)CCC(C)(C)CC1
InChIInChI=1S/C14H24O2/c1-5-11(2)10-14(12(15)16)8-6-13(3,4)7-9-14/h2,5-10H2,1,3-4H3,(H,15,16)
InChIKeyOGHSFCRCCOXKJL-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
CID 79425457
1-[2-(bromomethyl)prop-2-enyl]cyclopropane-1-carboxylic acid
CID 129285763
1-(carboxymethyl)-3,3-dimethylcyclopentane-1-carboxylic acid
CID 90414341
1-(2-ethoxyethyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65390385
1-(4-hydroxybutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79428551
1-[(1-hydroxycyclopentyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429318
4,4-dimethyl-1-(3-methylbut-2-enyl)cyclohexane-1-carboxylic acid
CID 79428838
3-(2-methylidenebutyl)-2,4-dihydrochromene-3-carboxylic acid
CID 79429352
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
1-(3-methoxy-3-methylbutyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 103017597
1-[2-(2-hydroxypentan-3-ylamino)-2-oxoethyl]cyclopropane-1-carboxylic acid
CID 166260242
1-[2-[(3,3-dimethylcyclopentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114543563

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid (CID 79429129) is 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid is C=C(CC)CC1(C(=O)O)CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid?
The InChIKey is OGHSFCRCCOXKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-11(2)10-14(12(15)16)8-6-13(3,4)7-9-14/h2,5-10H2,1,3-4H3,(H,15,16).
What are the key properties of 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid?
4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid has a molecular weight of 224.34 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79429129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).