8-hydroxy-2-methyl-2-propan-2-yloctanoic acid

C12H24O3 — CID 107704755

IUPAC8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
SMILESCC(C)C(C)(CCCCCCO)C(=O)O
InChIInChI=1S/C12H24O3/c1-10(2)12(3,11(14)15)8-6-4-5-7-9-13/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyXXRPRWGEWGYPEV-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.68
Rot. Bonds8

About 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid

8-hydroxy-2-methyl-2-propan-2-yloctanoic acid (PubChem CID 107704755) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid.

Molecular Properties

Compound Name8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
PubChem CID107704755
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name8-hydroxy-2-methyl-2-propan-2-yloctanoic acid
SMILESCC(C)C(C)(CCCCCCO)C(=O)O
InChIInChI=1S/C12H24O3/c1-10(2)12(3,11(14)15)8-6-4-5-7-9-13/h10,13H,4-9H2,1-3H3,(H,14,15)
InChIKeyXXRPRWGEWGYPEV-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.68
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

6-hydroxy-2-methyl-2-propan-2-ylhexanoic acid
CID 83148671
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628
2-(4-hydroxybutyl)-2-methylpropanedioic acid
CID 11788743
2-amino-6-hydroxy-2-methylhexanoic acid
CID 22000473
2-carbamoyl-8-hydroxy-2-methyloctanoic acid
CID 107708146
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
2-cyclopropyl-7-hydroxy-2-methylheptanoic acid
CID 83148520
18-hydroxy-2-(6-methylheptyl)octadecanoic acid
CID 54382083

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid?
The IUPAC name of 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid (CID 107704755) is 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid.
What is the SMILES notation for 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid?
The canonical SMILES for 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid is CC(C)C(C)(CCCCCCO)C(=O)O.
What is the InChIKey of 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid?
The InChIKey is XXRPRWGEWGYPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-10(2)12(3,11(14)15)8-6-4-5-7-9-13/h10,13H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid?
8-hydroxy-2-methyl-2-propan-2-yloctanoic acid has a molecular weight of 216.32 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-methyl-2-propan-2-yloctanoic acid is sourced from PubChem (CID 107704755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).