2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid

C14H28O3 — CID 114868886

IUPAC2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
SMILESCCCC(O)(C(=O)O)C(CC(C)C)CC(C)C
InChIInChI=1S/C14H28O3/c1-6-7-14(17,13(15)16)12(8-10(2)3)9-11(4)5/h10-12,17H,6-9H2,1-5H3,(H,15,16)
InChIKeyIOQZGUVDNLEUSX-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.31
Rot. Bonds8

About 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid

2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid (PubChem CID 114868886) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
PubChem CID114868886
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
SMILESCCCC(O)(C(=O)O)C(CC(C)C)CC(C)C
InChIInChI=1S/C14H28O3/c1-6-7-14(17,13(15)16)12(8-10(2)3)9-11(4)5/h10-12,17H,6-9H2,1-5H3,(H,15,16)
InChIKeyIOQZGUVDNLEUSX-UHFFFAOYSA-N
XLogP3.31
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
2-hydroxy-2-propan-2-ylhexanoic acid
CID 22743973
2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048
5-hydroxy-5-propan-2-yloctan-4-one
CID 121217425
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
2,4-dihydroxy-3-oxo-2-propylpentanoic acid
CID 87885039
2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
CID 83051898
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
2-(2-methylpropoxy)-2-propylpentanoic acid
CID 114989176
methyl 2-hydroxy-2-(1-hydroxyethyl)pentanoate
CID 123296265

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid?
The IUPAC name of 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid (CID 114868886) is 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid.
What is the SMILES notation for 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid?
The canonical SMILES for 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid is CCCC(O)(C(=O)O)C(CC(C)C)CC(C)C.
What is the InChIKey of 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid?
The InChIKey is IOQZGUVDNLEUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-6-7-14(17,13(15)16)12(8-10(2)3)9-11(4)5/h10-12,17H,6-9H2,1-5H3,(H,15,16).
What are the key properties of 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid?
2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid is sourced from PubChem (CID 114868886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).