6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid

C10H20O3 — CID 83148671

IUPAC6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
SMILESCC(C)C(C)(CCCCO)C(=O)O
InChIInChI=1S/C10H20O3/c1-8(2)10(3,9(12)13)6-4-5-7-11/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyPQKDNQLMBPAEAR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.90
Rot. Bonds6

About 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid

6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid (PubChem CID 83148671) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
PubChem CID83148671
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
SMILESCC(C)C(C)(CCCCO)C(=O)O
InChIInChI=1S/C10H20O3/c1-8(2)10(3,9(12)13)6-4-5-7-11/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyPQKDNQLMBPAEAR-UHFFFAOYSA-N
XLogP1.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
CID 107704755
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2,3-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]butanoic acid
CID 112590814
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
6-amino-2-(1-hydroxyethyl)-2-methylhexanoic acid
CID 173163481
2-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylbutanoic acid
CID 103181524
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2,3-dimethylbutanoic acid
CID 104565073
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
2-carbamoyl-8-hydroxy-2-methyloctanoic acid
CID 107708146
6-hydroxy-2,2-dimethylhexanamide
CID 21402976

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid?
The IUPAC name of 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid (CID 83148671) is 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid?
The canonical SMILES for 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid is CC(C)C(C)(CCCCO)C(=O)O.
What is the InChIKey of 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid?
The InChIKey is PQKDNQLMBPAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)10(3,9(12)13)6-4-5-7-11/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid?
6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.90, 6 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-propan-2-ylhexanoic acid is sourced from PubChem (CID 83148671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).