2-hydroxy-2-propan-2-ylhexanoic acid

C9H18O3 — CID 22743973

IUPAC2-hydroxy-2-propan-2-ylhexanoic acid
SMILESCCCCC(O)(C(=O)O)C(C)C
InChIInChI=1S/C9H18O3/c1-4-5-6-9(12,7(2)3)8(10)11/h7,12H,4-6H2,1-3H3,(H,10,11)
InChIKeyUMDUACKQEJYAAG-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.65
Rot. Bonds5

About 2-hydroxy-2-propan-2-ylhexanoic acid

2-hydroxy-2-propan-2-ylhexanoic acid (PubChem CID 22743973) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-hydroxy-2-propan-2-ylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-propan-2-ylhexanoic acid
PubChem CID22743973
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-hydroxy-2-propan-2-ylhexanoic acid
SMILESCCCCC(O)(C(=O)O)C(C)C
InChIInChI=1S/C9H18O3/c1-4-5-6-9(12,7(2)3)8(10)11/h7,12H,4-6H2,1-3H3,(H,10,11)
InChIKeyUMDUACKQEJYAAG-UHFFFAOYSA-N
XLogP1.65
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-propan-2-yloctadecanoic acid
CID 88541048
2,3-dibutyl-2-hydroxybutanedioic acid
CID 18463835
2-hexadecyl-2,3-dihydroxybutanedioic acid
CID 139894675
2-butyl-2-hydroxy-3-pentoxybutanedioic acid
CID 174957568
2-hydroxy-3,5-dimethyl-2-propylhexanoic acid
CID 83051268
2-hydroxy-2,3-dioctylbutanedioic acid
CID 22376992
2,3-dihexyl-2-hydroxybutanedioic acid
CID 22274742
2-(aminomethyl)-2-propan-2-ylhexanoic acid
CID 106488461
pentane-1,1,1-tricarboxylic acid
CID 19386814
2-ethyl-2-hydroxyhexanoic acid
CID 20700530
2,5-dibutyl-2,5-diethyl-3,4-dimethylhexanedioic acid
CID 23347738
2,3-dihydroxy-4-methyl-2-propylpentanoic acid
CID 139902815

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-propan-2-ylhexanoic acid?
The IUPAC name of 2-hydroxy-2-propan-2-ylhexanoic acid (CID 22743973) is 2-hydroxy-2-propan-2-ylhexanoic acid.
What is the SMILES notation for 2-hydroxy-2-propan-2-ylhexanoic acid?
The canonical SMILES for 2-hydroxy-2-propan-2-ylhexanoic acid is CCCCC(O)(C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-2-propan-2-ylhexanoic acid?
The InChIKey is UMDUACKQEJYAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-6-9(12,7(2)3)8(10)11/h7,12H,4-6H2,1-3H3,(H,10,11).
What are the key properties of 2-hydroxy-2-propan-2-ylhexanoic acid?
2-hydroxy-2-propan-2-ylhexanoic acid has a molecular weight of 174.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-propan-2-ylhexanoic acid is sourced from PubChem (CID 22743973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).