(3R)-3-hydroxy-5-methylhexanoic acid

C7H14O3 — CID 11105501

IUPAC(3R)-3-hydroxy-5-methylhexanoic acid
SMILESCC(C)C[C@@H](O)CC(=O)O
InChIInChI=1S/C7H14O3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeySCAWECGFPWPHAR-ZCFIWIBFSA-N
MW146.19 g/mol
LogP0.87
Rot. Bonds4

About (3R)-3-hydroxy-5-methylhexanoic acid

(3R)-3-hydroxy-5-methylhexanoic acid (PubChem CID 11105501) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3R)-3-hydroxy-5-methylhexanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-5-methylhexanoic acid
PubChem CID11105501
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name(3R)-3-hydroxy-5-methylhexanoic acid
SMILESCC(C)C[C@@H](O)CC(=O)O
InChIInChI=1S/C7H14O3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeySCAWECGFPWPHAR-ZCFIWIBFSA-N
XLogP0.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5-methylhexanoic acid?
The IUPAC name of (3R)-3-hydroxy-5-methylhexanoic acid (CID 11105501) is (3R)-3-hydroxy-5-methylhexanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-5-methylhexanoic acid?
The canonical SMILES for (3R)-3-hydroxy-5-methylhexanoic acid is CC(C)C[C@@H](O)CC(=O)O.
What is the InChIKey of (3R)-3-hydroxy-5-methylhexanoic acid?
The InChIKey is SCAWECGFPWPHAR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14O3/c1-5(2)3-6(8)4-7(9)10/h5-6,8H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5-methylhexanoic acid?
(3R)-3-hydroxy-5-methylhexanoic acid has a molecular weight of 146.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5-methylhexanoic acid is sourced from PubChem (CID 11105501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).