2-(1-hydroxybutyl)oxan-4-ol

C9H18O3 — CID 123732929

IUPAC2-(1-hydroxybutyl)oxan-4-ol
SMILESCCCC(O)C1CC(O)CCO1
InChIInChI=1S/C9H18O3/c1-2-3-8(11)9-6-7(10)4-5-12-9/h7-11H,2-6H2,1H3
InChIKeyIKKVGKOZGQNEKA-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.69
Rot. Bonds3

About 2-(1-hydroxybutyl)oxan-4-ol

2-(1-hydroxybutyl)oxan-4-ol (PubChem CID 123732929) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(1-hydroxybutyl)oxan-4-ol.

Molecular Properties

Compound Name2-(1-hydroxybutyl)oxan-4-ol
PubChem CID123732929
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(1-hydroxybutyl)oxan-4-ol
SMILESCCCC(O)C1CC(O)CCO1
InChIInChI=1S/C9H18O3/c1-2-3-8(11)9-6-7(10)4-5-12-9/h7-11H,2-6H2,1H3
InChIKeyIKKVGKOZGQNEKA-UHFFFAOYSA-N
XLogP0.69
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-hydroxybutyl)oxan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methyloxolan-2-yl)butan-1-ol
CID 115780955
butane;2-ethyloxan-4-ol
CID 156818442
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
2-[1-[1-(oxetan-2-yl)butylperoxy]butyl]oxetane
CID 175060731
(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol
CID 145143937
2-(1-cyclopropylpentyl)oxetane
CID 174056372
1-(2,2,3,3-tetramethyloxadisilinan-6-yl)butan-1-ol
CID 68832870
(2R,4S)-2-benzhydryloxan-4-ol
CID 11565243

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutyl)oxan-4-ol?
The IUPAC name of 2-(1-hydroxybutyl)oxan-4-ol (CID 123732929) is 2-(1-hydroxybutyl)oxan-4-ol.
What is the SMILES notation for 2-(1-hydroxybutyl)oxan-4-ol?
The canonical SMILES for 2-(1-hydroxybutyl)oxan-4-ol is CCCC(O)C1CC(O)CCO1.
What is the InChIKey of 2-(1-hydroxybutyl)oxan-4-ol?
The InChIKey is IKKVGKOZGQNEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-2-3-8(11)9-6-7(10)4-5-12-9/h7-11H,2-6H2,1H3.
What are the key properties of 2-(1-hydroxybutyl)oxan-4-ol?
2-(1-hydroxybutyl)oxan-4-ol has a molecular weight of 174.24 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutyl)oxan-4-ol is sourced from PubChem (CID 123732929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).