5-hydroxy-3-methylheptanoic acid

C8H16O3 — CID 143025483

IUPAC5-hydroxy-3-methylheptanoic acid
SMILESCCC(O)CC(C)CC(=O)O
InChIInChI=1S/C8H16O3/c1-3-7(9)4-6(2)5-8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyRWQALEVUZTYIGP-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds5

About 5-hydroxy-3-methylheptanoic acid

5-hydroxy-3-methylheptanoic acid (PubChem CID 143025483) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-hydroxy-3-methylheptanoic acid.

Molecular Properties

Compound Name5-hydroxy-3-methylheptanoic acid
PubChem CID143025483
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-hydroxy-3-methylheptanoic acid
SMILESCCC(O)CC(C)CC(=O)O
InChIInChI=1S/C8H16O3/c1-3-7(9)4-6(2)5-8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyRWQALEVUZTYIGP-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxypentanoic acid;methanol
CID 174973747
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
3-hydroxypentanoic acid;propa-1,2-diene
CID 174838105
strontium;hydride;3-methylpentanedioic acid
CID 173490798
(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
5-methyloctan-3-ol
CID 19931017
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
3-methyloctanoic acid
CID 5312327
5-methoxy-3-methylhexanoic acid
CID 150312715

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methylheptanoic acid?
The IUPAC name of 5-hydroxy-3-methylheptanoic acid (CID 143025483) is 5-hydroxy-3-methylheptanoic acid.
What is the SMILES notation for 5-hydroxy-3-methylheptanoic acid?
The canonical SMILES for 5-hydroxy-3-methylheptanoic acid is CCC(O)CC(C)CC(=O)O.
What is the InChIKey of 5-hydroxy-3-methylheptanoic acid?
The InChIKey is RWQALEVUZTYIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-3-7(9)4-6(2)5-8(10)11/h6-7,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 5-hydroxy-3-methylheptanoic acid?
5-hydroxy-3-methylheptanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methylheptanoic acid is sourced from PubChem (CID 143025483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).