(3S)-3-(hydroxymethoxy)butan-2-ol

C5H12O3 — CID 145435326

IUPAC(3S)-3-(hydroxymethoxy)butan-2-ol
SMILESCC(O)[C@H](C)OCO
InChIInChI=1S/C5H12O3/c1-4(7)5(2)8-3-6/h4-7H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyXNWLVRWUBAKUDX-AKGZTFGVSA-N
MW120.15 g/mol
LogP-0.28
Rot. Bonds3

About (3S)-3-(hydroxymethoxy)butan-2-ol

(3S)-3-(hydroxymethoxy)butan-2-ol (PubChem CID 145435326) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is (3S)-3-(hydroxymethoxy)butan-2-ol.

Molecular Properties

Compound Name(3S)-3-(hydroxymethoxy)butan-2-ol
PubChem CID145435326
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name(3S)-3-(hydroxymethoxy)butan-2-ol
SMILESCC(O)[C@H](C)OCO
InChIInChI=1S/C5H12O3/c1-4(7)5(2)8-3-6/h4-7H,3H2,1-2H3/t4?,5-/m0/s1
InChIKeyXNWLVRWUBAKUDX-AKGZTFGVSA-N
XLogP-0.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3S)-3-(hydroxymethoxy)butan-2-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-hydroxybutan-2-yloxy)butane-2,3-diol
CID 174717239
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
3-(2,2-dimethylpropoxy)butan-2-ol
CID 551306
1-aminoethoxymethanol
CID 76727864
(2S)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-ol
CID 103939578
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
3-(2-ethenoxyethoxy)butan-2-ol
CID 90891465
3-[C-(3-hydroxybutan-2-yloxy)carbonimidoyl]oxybutan-2-ol
CID 90287697
1-methoxyethoxymethanol
CID 19047944
3-[3-[3-[3-[3-(3-hydroxybutan-2-yloxy)butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-yloxy]butan-2-ol
CID 21495812
(2S,3S)-3-hydroperoxybutan-2-ol
CID 133064662
2-(hydroxymethoxy)-1-(oxan-2-yl)propan-1-ol
CID 139940126

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethoxy)butan-2-ol?
The IUPAC name of (3S)-3-(hydroxymethoxy)butan-2-ol (CID 145435326) is (3S)-3-(hydroxymethoxy)butan-2-ol.
What is the SMILES notation for (3S)-3-(hydroxymethoxy)butan-2-ol?
The canonical SMILES for (3S)-3-(hydroxymethoxy)butan-2-ol is CC(O)[C@H](C)OCO.
What is the InChIKey of (3S)-3-(hydroxymethoxy)butan-2-ol?
The InChIKey is XNWLVRWUBAKUDX-AKGZTFGVSA-N. The full InChI is InChI=1S/C5H12O3/c1-4(7)5(2)8-3-6/h4-7H,3H2,1-2H3/t4?,5-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethoxy)butan-2-ol?
(3S)-3-(hydroxymethoxy)butan-2-ol has a molecular weight of 120.15 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethoxy)butan-2-ol is sourced from PubChem (CID 145435326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).