2-but-3-enyl-3-ethyloxirane

C8H14O — CID 162420336

IUPAC2-but-3-enyl-3-ethyloxirane
SMILESC=CCCC1OC1CC
InChIInChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h3,7-8H,1,4-6H2,2H3
InChIKeyPVSFKLZEGPBMKX-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About 2-but-3-enyl-3-ethyloxirane

2-but-3-enyl-3-ethyloxirane (PubChem CID 162420336) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-but-3-enyl-3-ethyloxirane.

Molecular Properties

Compound Name2-but-3-enyl-3-ethyloxirane
PubChem CID162420336
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2-but-3-enyl-3-ethyloxirane
SMILESC=CCCC1OC1CC
InChIInChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h3,7-8H,1,4-6H2,2H3
InChIKeyPVSFKLZEGPBMKX-UHFFFAOYSA-N
XLogP2.13
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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 2-but-3-enyl-3-ethyloxirane?
The IUPAC name of 2-but-3-enyl-3-ethyloxirane (CID 162420336) is 2-but-3-enyl-3-ethyloxirane.
What is the SMILES notation for 2-but-3-enyl-3-ethyloxirane?
The canonical SMILES for 2-but-3-enyl-3-ethyloxirane is C=CCCC1OC1CC.
What is the InChIKey of 2-but-3-enyl-3-ethyloxirane?
The InChIKey is PVSFKLZEGPBMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-8-7(4-2)9-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of 2-but-3-enyl-3-ethyloxirane?
2-but-3-enyl-3-ethyloxirane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-3-ethyloxirane is sourced from PubChem (CID 162420336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).