(4R)-4-methylhexanoic acid

C7H14O2 — CID 12600623

IUPAC(4R)-4-methylhexanoic acid
SMILESCC[C@@H](C)CCC(=O)O
InChIInChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyDIVCBWJKVSFZKJ-ZCFIWIBFSA-N
MW130.19 g/mol
LogP1.90
Rot. Bonds4

About (4R)-4-methylhexanoic acid

(4R)-4-methylhexanoic acid (PubChem CID 12600623) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4R)-4-methylhexanoic acid.

Molecular Properties

Compound Name(4R)-4-methylhexanoic acid
PubChem CID12600623
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4R)-4-methylhexanoic acid
SMILESCC[C@@H](C)CCC(=O)O
InChIInChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1
InChIKeyDIVCBWJKVSFZKJ-ZCFIWIBFSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R)-4-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylhexanoic acid?
The IUPAC name of (4R)-4-methylhexanoic acid (CID 12600623) is (4R)-4-methylhexanoic acid.
What is the SMILES notation for (4R)-4-methylhexanoic acid?
The canonical SMILES for (4R)-4-methylhexanoic acid is CC[C@@H](C)CCC(=O)O.
What is the InChIKey of (4R)-4-methylhexanoic acid?
The InChIKey is DIVCBWJKVSFZKJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/t6-/m1/s1.
What are the key properties of (4R)-4-methylhexanoic acid?
(4R)-4-methylhexanoic acid has a molecular weight of 130.19 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylhexanoic acid is sourced from PubChem (CID 12600623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).