8-hydroxy-3,7-dimethyloctanoic acid

C10H20O3 — CID 22035520

IUPAC8-hydroxy-3,7-dimethyloctanoic acid
SMILESCC(CO)CCCC(C)CC(=O)O
InChIInChI=1S/C10H20O3/c1-8(6-10(12)13)4-3-5-9(2)7-11/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyFSNDRLKGWHCTQC-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.90
Rot. Bonds7

About 8-hydroxy-3,7-dimethyloctanoic acid

8-hydroxy-3,7-dimethyloctanoic acid (PubChem CID 22035520) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 8-hydroxy-3,7-dimethyloctanoic acid.

Molecular Properties

Compound Name8-hydroxy-3,7-dimethyloctanoic acid
PubChem CID22035520
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name8-hydroxy-3,7-dimethyloctanoic acid
SMILESCC(CO)CCCC(C)CC(=O)O
InChIInChI=1S/C10H20O3/c1-8(6-10(12)13)4-3-5-9(2)7-11/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyFSNDRLKGWHCTQC-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-hydroxy-3,7-dimethyloctanoic 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

2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
16-hydroxy-3,7,11,15-tetramethylhexadecanoate
CID 86290131
3-methyloctanoic acid
CID 5312327
3-methylnonadecanoic acid
CID 13392624
3-methylicosanedioic acid
CID 87117627
(3R)-3-methyltetradecanedioic acid
CID 142577447
(3S)-3-methylhexadecanoic acid
CID 54227409
2,7-dimethyloctane-1,8-diol
CID 11008425
10-amino-3-methyldecanoic acid
CID 2832731
3-methyl-6-oxohexanoic acid
CID 73196600
3-methylhexanedioic acid;dihydrobromide
CID 172737269

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3,7-dimethyloctanoic acid?
The IUPAC name of 8-hydroxy-3,7-dimethyloctanoic acid (CID 22035520) is 8-hydroxy-3,7-dimethyloctanoic acid.
What is the SMILES notation for 8-hydroxy-3,7-dimethyloctanoic acid?
The canonical SMILES for 8-hydroxy-3,7-dimethyloctanoic acid is CC(CO)CCCC(C)CC(=O)O.
What is the InChIKey of 8-hydroxy-3,7-dimethyloctanoic acid?
The InChIKey is FSNDRLKGWHCTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(6-10(12)13)4-3-5-9(2)7-11/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 8-hydroxy-3,7-dimethyloctanoic acid?
8-hydroxy-3,7-dimethyloctanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3,7-dimethyloctanoic acid is sourced from PubChem (CID 22035520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).