1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid

C13H22O2 — CID 130935055

IUPAC1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(CC1CCC1)C(=O)O
InChIInChI=1S/C13H22O2/c1-10-5-2-3-8-13(10,12(14)15)9-11-6-4-7-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyCMXYIKGSNLHNRC-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds3

About 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid

1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid (PubChem CID 130935055) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
PubChem CID130935055
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(CC1CCC1)C(=O)O
InChIInChI=1S/C13H22O2/c1-10-5-2-3-8-13(10,12(14)15)9-11-6-4-7-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyCMXYIKGSNLHNRC-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 131021386
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2-methyl-1-prop-2-enylcyclopentane-1-carboxylic acid
CID 68881461
3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
CID 84782858
2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
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2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 55106818
N,1-diethyl-2-methylcycloheptane-1-carboxamide
CID 20549202
1-hydroxy-2,7-dimethylcycloheptane-1-carboxylic acid
CID 83906995
1-propylcyclohexane-1,2-dicarboxylic acid
CID 18175920
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
2-methyl-1-(thiadiazol-4-ylmethyl)cyclopentane-1-carboxylic acid
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1-(1-methoxy-2-methylcyclohexyl)butan-1-one
CID 83225703

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid (CID 130935055) is 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(CC1CCC1)C(=O)O.
What is the InChIKey of 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is CMXYIKGSNLHNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-5-2-3-8-13(10,12(14)15)9-11-6-4-7-11/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid?
1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 210.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 130935055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).