[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol

C6H10O2 — CID 11170943

IUPAC[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol
SMILESC=CC[C@@H]1O[C@H]1CO
InChIInChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h2,5-7H,1,3-4H2/t5-,6-/m0/s1
InChIKeyYOVZDDKWHHGULM-WDSKDSINSA-N
MW114.14 g/mol
LogP0.32
Rot. Bonds3

About [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol

[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol (PubChem CID 11170943) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol
PubChem CID11170943
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol
SMILESC=CC[C@@H]1O[C@H]1CO
InChIInChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h2,5-7H,1,3-4H2/t5-,6-/m0/s1
InChIKeyYOVZDDKWHHGULM-WDSKDSINSA-N
XLogP0.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

1-(Oxiran-2-yl)prop-2-en-1-ol
CID 5324169
(1R)-1-[(2S)-Oxiran-2-yl]prop-2-en-1-ol
CID 11137105
3-Ethen yl-2-oxiranemethanol
CID 14282994
(2R,3S)-hex-5-ene-1,2,3-triol
CID 49765126
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-prop-2-enyloxiran-2-yl]methanol
CID 10942386
1-(Oxiran-2-yl)but-3-en-1-ol
CID 11126217
[(2R,3R)-3-ethenyloxiran-2-yl]methanol
CID 11480405
(1S)-1-[(2R)-Oxiran-2-yl]prop-2-en-1-ol
CID 11768505
(1S)-1-[(2S,3S)-3-methyloxiran-2-yl]but-3-en-1-ol
CID 11789230
1,5-Anhydro-2,3-dideoxy-erythro-hex-1-enitol
CID 12775331
1-(3-Methyloxiranyl)-3-buten-1-ol
CID 13212847

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol (CID 11170943) is [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol is C=CC[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol?
The InChIKey is YOVZDDKWHHGULM-WDSKDSINSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h2,5-7H,1,3-4H2/t5-,6-/m0/s1.
What are the key properties of [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol?
[(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol has a molecular weight of 114.14 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-prop-2-enyloxiran-2-yl]methanol is sourced from PubChem (CID 11170943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).