(4R)-4-(hydroxymethyl)hexanoic acid

C7H14O3 — CID 131845263

IUPAC(4R)-4-(hydroxymethyl)hexanoic acid
SMILESCC[C@@H](CO)CCC(=O)O
InChIInChI=1S/C7H14O3/c1-2-6(5-8)3-4-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyOIKRTPRZTWWUPG-ZCFIWIBFSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds5

About (4R)-4-(hydroxymethyl)hexanoic acid

(4R)-4-(hydroxymethyl)hexanoic acid (PubChem CID 131845263) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (4R)-4-(hydroxymethyl)hexanoic acid.

Molecular Properties

Compound Name(4R)-4-(hydroxymethyl)hexanoic acid
PubChem CID131845263
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(4R)-4-(hydroxymethyl)hexanoic acid
SMILESCC[C@@H](CO)CCC(=O)O
InChIInChI=1S/C7H14O3/c1-2-6(5-8)3-4-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1
InChIKeyOIKRTPRZTWWUPG-ZCFIWIBFSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(hydroxymethyl)hexanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

butanedioic acid;2-ethylhexan-1-ol
CID 159770263
3-ethylhexanedioic acid
CID 18477236
decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
4-(bromomethyl)hexanoic acid
CID 88737518
4-ethylicosanedioic acid;dihydrochloride
CID 89462723
2,4-diethylpentane-1,5-diol;bis(pentanoic acid)
CID 175160566
acetic acid;2-ethylpropane-1,3-diol
CID 22936080
acetic acid;2-ethylhexane-1,6-diol
CID 175223749
(4S)-4-hydroxyhexanoic acid
CID 14057564
5-ethyldecanedioic acid
CID 54495296
2-ethylhexane-1,5-diol;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 87104973
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(hydroxymethyl)hexanoic acid?
The IUPAC name of (4R)-4-(hydroxymethyl)hexanoic acid (CID 131845263) is (4R)-4-(hydroxymethyl)hexanoic acid.
What is the SMILES notation for (4R)-4-(hydroxymethyl)hexanoic acid?
The canonical SMILES for (4R)-4-(hydroxymethyl)hexanoic acid is CC[C@@H](CO)CCC(=O)O.
What is the InChIKey of (4R)-4-(hydroxymethyl)hexanoic acid?
The InChIKey is OIKRTPRZTWWUPG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O3/c1-2-6(5-8)3-4-7(9)10/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (4R)-4-(hydroxymethyl)hexanoic acid?
(4R)-4-(hydroxymethyl)hexanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(hydroxymethyl)hexanoic acid is sourced from PubChem (CID 131845263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).