(2S)-2-but-3-enyloxirane

C6H10O — CID 6999053

IUPAC(2S)-2-but-3-enyloxirane
SMILESC=CCC[C@H]1CO1
InChIInChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyMUUOUUYKIVSIAR-LURJTMIESA-N
MW98.14 g/mol
LogP1.35
Rot. Bonds3

About (2S)-2-but-3-enyloxirane

(2S)-2-but-3-enyloxirane (PubChem CID 6999053) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is (2S)-2-but-3-enyloxirane.

Molecular Properties

Compound Name(2S)-2-but-3-enyloxirane
PubChem CID6999053
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name(2S)-2-but-3-enyloxirane
SMILESC=CCC[C@H]1CO1
InChIInChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m0/s1
InChIKeyMUUOUUYKIVSIAR-LURJTMIESA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2-but-3-enyloxirane?
The IUPAC name of (2S)-2-but-3-enyloxirane (CID 6999053) is (2S)-2-but-3-enyloxirane.
What is the SMILES notation for (2S)-2-but-3-enyloxirane?
The canonical SMILES for (2S)-2-but-3-enyloxirane is C=CCC[C@H]1CO1.
What is the InChIKey of (2S)-2-but-3-enyloxirane?
The InChIKey is MUUOUUYKIVSIAR-LURJTMIESA-N. The full InChI is InChI=1S/C6H10O/c1-2-3-4-6-5-7-6/h2,6H,1,3-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-but-3-enyloxirane?
(2S)-2-but-3-enyloxirane has a molecular weight of 98.14 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-but-3-enyloxirane is sourced from PubChem (CID 6999053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).