5-hydroxy-4,4-dimethylhexanoic acid

C8H16O3 — CID 19354060

IUPAC5-hydroxy-4,4-dimethylhexanoic acid
SMILESCC(O)C(C)(C)CCC(=O)O
InChIInChI=1S/C8H16O3/c1-6(9)8(2,3)5-4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyZPIGEVSGZWUFNM-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.26
Rot. Bonds4

About 5-hydroxy-4,4-dimethylhexanoic acid

5-hydroxy-4,4-dimethylhexanoic acid (PubChem CID 19354060) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-hydroxy-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name5-hydroxy-4,4-dimethylhexanoic acid
PubChem CID19354060
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name5-hydroxy-4,4-dimethylhexanoic acid
SMILESCC(O)C(C)(C)CCC(=O)O
InChIInChI=1S/C8H16O3/c1-6(9)8(2,3)5-4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyZPIGEVSGZWUFNM-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2,2-dimethylbutane-1,1,4-tricarboxylic acid
CID 86125783
7,7-dichloro-5-hydroxy-4,4-dimethylhept-6-enoic acid
CID 23330251
calcium;3,3-bis(1-hydroxyethyl)hexanedioic acid;hydride
CID 173437670
6-hydroxy-4,4-dimethyl-5,6-disulfinohexanoic acid
CID 175335034
3,3-dimethylpentane-1,4-diol
CID 12931500
5,7,7,7-tetrabromo-4,4-dimethylheptanoic acid
CID 88787051
5-(aminomethyl)-4,4-dimethylheptanoic acid
CID 87933136
5,7,7,7-tetrachloro-4,4-dimethylheptanoic acid
CID 88786161
4,4-dimethylpentanoic acid;3-methylbutanoic acid
CID 175566732
4-hydroxy-4,6-dimethylheptanoic acid
CID 66324059
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,4-dimethylhexanoic acid?
The IUPAC name of 5-hydroxy-4,4-dimethylhexanoic acid (CID 19354060) is 5-hydroxy-4,4-dimethylhexanoic acid.
What is the SMILES notation for 5-hydroxy-4,4-dimethylhexanoic acid?
The canonical SMILES for 5-hydroxy-4,4-dimethylhexanoic acid is CC(O)C(C)(C)CCC(=O)O.
What is the InChIKey of 5-hydroxy-4,4-dimethylhexanoic acid?
The InChIKey is ZPIGEVSGZWUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-6(9)8(2,3)5-4-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-hydroxy-4,4-dimethylhexanoic acid?
5-hydroxy-4,4-dimethylhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,4-dimethylhexanoic acid is sourced from PubChem (CID 19354060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).