6-hydroxy-2-methyl-2-propylhexanoic acid

C10H20O3 — CID 79426423

IUPAC6-hydroxy-2-methyl-2-propylhexanoic acid
SMILESCCCC(C)(CCCCO)C(=O)O
InChIInChI=1S/C10H20O3/c1-3-6-10(2,9(12)13)7-4-5-8-11/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyOIMZMYDRYNRDQL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds7

About 6-hydroxy-2-methyl-2-propylhexanoic acid

6-hydroxy-2-methyl-2-propylhexanoic acid (PubChem CID 79426423) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-2-propylhexanoic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-2-propylhexanoic acid
PubChem CID79426423
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-hydroxy-2-methyl-2-propylhexanoic acid
SMILESCCCC(C)(CCCCO)C(=O)O
InChIInChI=1S/C10H20O3/c1-3-6-10(2,9(12)13)7-4-5-8-11/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyOIMZMYDRYNRDQL-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

2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
2-methyl-2-propylnonanedioic acid
CID 160508376
2-butyl-2-methylhexanoic acid
CID 15930803
2-methyl-2-propyldec-9-enoic acid
CID 151821272
(Z)-2-methyl-2-propyloctadec-9-enoic acid
CID 160795376
azane;2,6-dibutyl-2,6-dimethylheptanedioic acid
CID 173344121
azanium;2-butyl-2-methylhexadecanoic acid;chloride
CID 161127184
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
2-(8-fluorooctyl)-2-methylpentadecanoic acid
CID 175368880
2-hexyl-2-methyldodecanedioic acid
CID 90370691

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-2-propylhexanoic acid?
The IUPAC name of 6-hydroxy-2-methyl-2-propylhexanoic acid (CID 79426423) is 6-hydroxy-2-methyl-2-propylhexanoic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-2-propylhexanoic acid?
The canonical SMILES for 6-hydroxy-2-methyl-2-propylhexanoic acid is CCCC(C)(CCCCO)C(=O)O.
What is the InChIKey of 6-hydroxy-2-methyl-2-propylhexanoic acid?
The InChIKey is OIMZMYDRYNRDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-6-10(2,9(12)13)7-4-5-8-11/h11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 6-hydroxy-2-methyl-2-propylhexanoic acid?
6-hydroxy-2-methyl-2-propylhexanoic 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 6-hydroxy-2-methyl-2-propylhexanoic acid is sourced from PubChem (CID 79426423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).