[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol

C7H14O2 — CID 11094654

IUPAC[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
SMILESCC[C@H](C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C7H14O2/c1-3-5(2)7-6(4-8)9-7/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyPTOIJBWGCSYXOX-RRKCRQDMSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds3

About [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol

[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol (PubChem CID 11094654) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
PubChem CID11094654
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
SMILESCC[C@H](C)[C@H]1O[C@@H]1CO
InChIInChI=1S/C7H14O2/c1-3-5(2)7-6(4-8)9-7/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m0/s1
InChIKeyPTOIJBWGCSYXOX-RRKCRQDMSA-N
XLogP0.79
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol 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

2-butan-2-yl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77486705
(3-butan-2-yloxiran-2-yl)methanol;1-(oxiran-2-yl)butan-1-ol
CID 87670552
[(2R,3R)-3-[(E,2S)-hex-4-en-2-yl]oxiran-2-yl]methanol
CID 11829689
(3R,4R,5S,6R)-2-butan-2-yl-6-(hydroxymethyl)-5-pentan-3-yloxyoxane-3,4-diol
CID 137470121
[(2S,3S)-3-[(2R,3S)-3-methoxypentan-2-yl]oxiran-2-yl]methanol
CID 164821939
2-butan-2-yl-3-(2,2-dimethylbutyl)oxirane
CID 91269465
[(2S,3S)-3-but-3-en-2-yloxiran-2-yl]methanol
CID 5324179
[(2S,3R)-3-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]oxiran-2-yl]methanol
CID 56946449
(2S)-2-[(2S)-butan-2-yl]-3-[[(E,7S)-6-fluoro-7-methylnon-4-en-5-yl]oxymethyl]oxirane
CID 163440268
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol (CID 11094654) is [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol is CC[C@H](C)[C@H]1O[C@@H]1CO.
What is the InChIKey of [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol?
The InChIKey is PTOIJBWGCSYXOX-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5(2)7-6(4-8)9-7/h5-8H,3-4H2,1-2H3/t5-,6+,7+/m0/s1.
What are the key properties of [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol?
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 11094654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).