((2S,3S)-3-allyloxiran-2-yl)methanol

C6H10O2 — CID 19093098

IUPAC(3-prop-2-enyloxiran-2-yl)methanol
SMILESC=CCC1C(O1)CO
InChIInChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h2,5-7H,1,3-4H2
InChIKeyYOVZDDKWHHGULM-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.40
Rot. Bonds3

About ((2S,3S)-3-allyloxiran-2-yl)methanol

((2S,3S)-3-allyloxiran-2-yl)methanol (PubChem CID 19093098) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (3-prop-2-enyloxiran-2-yl)methanol.

Molecular Properties

Compound Name((2S,3S)-3-allyloxiran-2-yl)methanol
PubChem CID19093098
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(3-prop-2-enyloxiran-2-yl)methanol
SMILESC=CCC1C(O1)CO
InChIInChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h2,5-7H,1,3-4H2
InChIKeyYOVZDDKWHHGULM-UHFFFAOYSA-N
XLogP0.40
TPSA32.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity90

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.40
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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Frequently Asked Questions

What is the IUPAC name of ((2S,3S)-3-allyloxiran-2-yl)methanol?
The IUPAC name of ((2S,3S)-3-allyloxiran-2-yl)methanol (CID 19093098) is (3-prop-2-enyloxiran-2-yl)methanol.
What is the SMILES notation for ((2S,3S)-3-allyloxiran-2-yl)methanol?
The canonical SMILES for ((2S,3S)-3-allyloxiran-2-yl)methanol is C=CCC1C(O1)CO.
What is the InChIKey of ((2S,3S)-3-allyloxiran-2-yl)methanol?
The InChIKey is YOVZDDKWHHGULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-5-6(4-7)8-5/h2,5-7H,1,3-4H2.
What are the key properties of ((2S,3S)-3-allyloxiran-2-yl)methanol?
((2S,3S)-3-allyloxiran-2-yl)methanol has a molecular weight of 114.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ((2S,3S)-3-allyloxiran-2-yl)methanol is sourced from PubChem (CID 19093098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).