3-hydroxy-4-methylnonanoic acid

C10H20O3 — CID 118395332

IUPAC3-hydroxy-4-methylnonanoic acid
SMILESCCCCCC(C)C(O)CC(=O)O
InChIInChI=1S/C10H20O3/c1-3-4-5-6-8(2)9(11)7-10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyDKHBPKDDJNXAAP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds7

About 3-hydroxy-4-methylnonanoic acid

3-hydroxy-4-methylnonanoic acid (PubChem CID 118395332) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-hydroxy-4-methylnonanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methylnonanoic acid
PubChem CID118395332
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name3-hydroxy-4-methylnonanoic acid
SMILESCCCCCC(C)C(O)CC(=O)O
InChIInChI=1S/C10H20O3/c1-3-4-5-6-8(2)9(11)7-10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyDKHBPKDDJNXAAP-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
3,4-dihydroxypentadecanoic acid
CID 22348655
4-methyl-3-tridecyloctadecanoic acid
CID 57002695
4-hydroxy-3-methyloctanoic acid
CID 19371970
4-chloro-3-hydroxydecanoic acid
CID 88665984
(3S,4S)-3,4,8-trimethylhexadecanoic acid
CID 118342315
4-bromo-3-hydroxydodecanoic acid
CID 88665976
3-methyloctanoic acid
CID 5312327
3-hydroxyoctanoic acid
CID 159718411
7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methylnonanoic acid?
The IUPAC name of 3-hydroxy-4-methylnonanoic acid (CID 118395332) is 3-hydroxy-4-methylnonanoic acid.
What is the SMILES notation for 3-hydroxy-4-methylnonanoic acid?
The canonical SMILES for 3-hydroxy-4-methylnonanoic acid is CCCCCC(C)C(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-methylnonanoic acid?
The InChIKey is DKHBPKDDJNXAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-6-8(2)9(11)7-10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-hydroxy-4-methylnonanoic acid?
3-hydroxy-4-methylnonanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methylnonanoic acid is sourced from PubChem (CID 118395332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).