[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol

C6H10O2 — CID 131089376

IUPAC[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol
SMILESC=C[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C6H10O2/c1-3-5-6(2,4-7)8-5/h3,5,7H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyLJSFJGBTVCVOLY-WDSKDSINSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds2

About [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol

[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol (PubChem CID 131089376) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol
PubChem CID131089376
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol
SMILESC=C[C@@H]1O[C@@]1(C)CO
InChIInChI=1S/C6H10O2/c1-3-5-6(2,4-7)8-5/h3,5,7H,1,4H2,2H3/t5-,6-/m0/s1
InChIKeyLJSFJGBTVCVOLY-WDSKDSINSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Ethen yl-2-oxiranemethanol
CID 14282994
InChI=1/C5H8O2/c1-2-4-5(3-6)7-4/h2,4-6H,1,3H2/t4-,5-/m0/s
CID 5324178
[(2R,3R)-3-ethenyloxiran-2-yl]methanol
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(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
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[(2S)-2-prop-2-enyloxiran-2-yl]methanol
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(1S)-1-[(2R)-2-methyloxiran-2-yl]but-3-en-1-ol
CID 138977530
2-Methyl-2-prop-2-enoxypent-4-en-1-ol
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CID 10996997

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol (CID 131089376) is [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol is C=C[C@@H]1O[C@@]1(C)CO.
What is the InChIKey of [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol?
The InChIKey is LJSFJGBTVCVOLY-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-5-6(2,4-7)8-5/h3,5,7H,1,4H2,2H3/t5-,6-/m0/s1.
What are the key properties of [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol?
[(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-ethenyl-2-methyloxiran-2-yl]methanol is sourced from PubChem (CID 131089376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).