2-hydroxy-3,5-dimethyl-2-propylhexanoic acid

C11H22O3 — CID 83051268

IUPAC2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
SMILESCCCC(O)(C(=O)O)C(C)CC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-11(14,10(12)13)9(4)7-8(2)3/h8-9,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyWOSWNBVPUSFDNP-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.28
Rot. Bonds6

About 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid

2-hydroxy-3,5-dimethyl-2-propylhexanoic acid (PubChem CID 83051268) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
PubChem CID83051268
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
SMILESCCCC(O)(C(=O)O)C(C)CC(C)C
InChIInChI=1S/C11H22O3/c1-5-6-11(14,10(12)13)9(4)7-8(2)3/h8-9,14H,5-7H2,1-4H3,(H,12,13)
InChIKeyWOSWNBVPUSFDNP-UHFFFAOYSA-N
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-methyl-3-(2-methylpropyl)-2-propylhexanoic acid
CID 114868886
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815
2-hydroxy-2-propan-2-ylhexanoic acid
CID 22743973
2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048
silver;2,2,3,5-tetramethylhexanoic acid
CID 169177774
2,4,5,5-tetramethyloctane
CID 19844451
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-hydroxypentanoic acid
CID 83052448
2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid
CID 139864246
2-hexadecyl-2,3-dihydroxybutanedioic acid
CID 139894675
2,3-diethyl-2-hydroxypentanoic acid
CID 79303581
5-hydroxy-5-propan-2-yloctan-4-one
CID 121217425
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid?
The IUPAC name of 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid (CID 83051268) is 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid.
What is the SMILES notation for 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid?
The canonical SMILES for 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid is CCCC(O)(C(=O)O)C(C)CC(C)C.
What is the InChIKey of 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid?
The InChIKey is WOSWNBVPUSFDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-6-11(14,10(12)13)9(4)7-8(2)3/h8-9,14H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid?
2-hydroxy-3,5-dimethyl-2-propylhexanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,5-dimethyl-2-propylhexanoic acid is sourced from PubChem (CID 83051268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).