4-hydroxy-2-methyl-2-propylhexanoic acid

C10H20O3 — CID 79425025

IUPAC4-hydroxy-2-methyl-2-propylhexanoic acid
SMILESCCCC(C)(CC(O)CC)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-6-10(3,9(12)13)7-8(11)5-2/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyGPWKZZFYFXPLPP-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds6

About 4-hydroxy-2-methyl-2-propylhexanoic acid

4-hydroxy-2-methyl-2-propylhexanoic acid (PubChem CID 79425025) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-2-propylhexanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-2-propylhexanoic acid
PubChem CID79425025
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-hydroxy-2-methyl-2-propylhexanoic acid
SMILESCCCC(C)(CC(O)CC)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-6-10(3,9(12)13)7-8(11)5-2/h8,11H,4-7H2,1-3H3,(H,12,13)
InChIKeyGPWKZZFYFXPLPP-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-hydroxy-2-methylhexanoic acid
CID 87771326
2,2,4-trimethyl-4-propylpentanedioic acid
CID 19091003
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
4-ethyl-4-hydroxy-2-methyl-2-propylhexanoic acid
CID 114495188
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentanoic acid
CID 116616869
6-hydroxy-2-methyl-2-propylhexanoic acid
CID 79426423
2-butyl-2-methylhexanoic acid
CID 15930803
2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
CID 62270300
2-methyl-2-(2-octyldodecyl)octadecanoic acid
CID 170305076
2-methyl-2-propylnonanedioic acid
CID 160508376
2-(2-ethylbutyl)-2-methyldodecanedioic acid
CID 87569897

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-2-propylhexanoic acid?
The IUPAC name of 4-hydroxy-2-methyl-2-propylhexanoic acid (CID 79425025) is 4-hydroxy-2-methyl-2-propylhexanoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-2-propylhexanoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-2-propylhexanoic acid is CCCC(C)(CC(O)CC)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-2-propylhexanoic acid?
The InChIKey is GPWKZZFYFXPLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-6-10(3,9(12)13)7-8(11)5-2/h8,11H,4-7H2,1-3H3,(H,12,13).
What are the key properties of 4-hydroxy-2-methyl-2-propylhexanoic acid?
4-hydroxy-2-methyl-2-propylhexanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-2-propylhexanoic acid is sourced from PubChem (CID 79425025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).