2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid

C13H24O2 — CID 70517703

IUPAC2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
SMILESCCC(C)C1CCCCC1(C)CC(=O)O
InChIInChI=1S/C13H24O2/c1-4-10(2)11-7-5-6-8-13(11,3)9-12(14)15/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyIUJDNJHWTUFOAO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.70
Rot. Bonds4

About 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid

2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid (PubChem CID 70517703) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
PubChem CID70517703
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid
SMILESCCC(C)C1CCCCC1(C)CC(=O)O
InChIInChI=1S/C13H24O2/c1-4-10(2)11-7-5-6-8-13(11,3)9-12(14)15/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyIUJDNJHWTUFOAO-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-1-ethylcyclohexan-1-ol
CID 154099705
2-butan-2-yl-1-methyl-1-propylcyclobutane
CID 145223890
2-(1-butan-2-ylcyclopentyl)acetic acid
CID 83817372
2-(1-butan-2-ylcyclohexyl)acetic acid
CID 83819034
2-[1-(1-aminopropyl)-2-ethylcyclohexyl]acetic acid
CID 66097102
2-(2,2-dimethylcyclohexyl)-2-hydroxyacetic acid
CID 79852423
2-spiro[2.5]octan-8-ylpropanoic acid
CID 83906677
2-[3-[3-(carboxymethyl)-2-ethyl-3-methyl-6-propan-2-ylcyclohexyl]sulfinyl-2-ethyl-1-methyl-4-propan-2-ylcyclohexyl]acetic acid
CID 148546196
(7aR)-1-butan-2-yl-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one
CID 58846976
2-butan-2-yl-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81020356
2-[1-(aminomethyl)-3-butan-2-ylcyclobutyl]acetic acid
CID 142945921
(13R)-17-[(2R)-butan-2-yl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
CID 145410559

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid?
The IUPAC name of 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid (CID 70517703) is 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid?
The canonical SMILES for 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid is CCC(C)C1CCCCC1(C)CC(=O)O.
What is the InChIKey of 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid?
The InChIKey is IUJDNJHWTUFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-10(2)11-7-5-6-8-13(11,3)9-12(14)15/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid?
2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid has a molecular weight of 212.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yl-1-methylcyclohexyl)acetic acid is sourced from PubChem (CID 70517703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).