3-cyclohexyl-2,3-dimethylbutanoic acid

C12H22O2 — CID 83699558

IUPAC3-cyclohexyl-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)(C)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-9(11(13)14)12(2,3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyMVRNFIAZSRCANJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.31
Rot. Bonds3

About 3-cyclohexyl-2,3-dimethylbutanoic acid

3-cyclohexyl-2,3-dimethylbutanoic acid (PubChem CID 83699558) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-cyclohexyl-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2,3-dimethylbutanoic acid
PubChem CID83699558
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-cyclohexyl-2,3-dimethylbutanoic acid
SMILESCC(C(=O)O)C(C)(C)C1CCCCC1
InChIInChI=1S/C12H22O2/c1-9(11(13)14)12(2,3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyMVRNFIAZSRCANJ-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexylpropanoic acid;(2S)-2,3,3-trimethylbutanoic acid
CID 91274139
acetic acid;tert-butylcyclohexane
CID 69013500
3-(2-cyclohexylpropan-2-yloxy)-2-methyl-3-oxopropanoic acid
CID 170442794
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
2,3-ditert-butyl-2-cyclohexylbutanedioic acid
CID 175057284
4-cycloheptyl-4-methylpentan-2-ol
CID 82923694
3-cyclohexyl-3-methylbutan-2-one
CID 20782049
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
3-cyclohexyl-3-(dimethylamino)butanoic acid
CID 64527768
2,3,4-trimethylpentan-3-ylcyclohexane
CID 140706198

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2,3-dimethylbutanoic acid?
The IUPAC name of 3-cyclohexyl-2,3-dimethylbutanoic acid (CID 83699558) is 3-cyclohexyl-2,3-dimethylbutanoic acid.
What is the SMILES notation for 3-cyclohexyl-2,3-dimethylbutanoic acid?
The canonical SMILES for 3-cyclohexyl-2,3-dimethylbutanoic acid is CC(C(=O)O)C(C)(C)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2,3-dimethylbutanoic acid?
The InChIKey is MVRNFIAZSRCANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(11(13)14)12(2,3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-cyclohexyl-2,3-dimethylbutanoic acid?
3-cyclohexyl-2,3-dimethylbutanoic acid has a molecular weight of 198.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2,3-dimethylbutanoic acid is sourced from PubChem (CID 83699558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).