2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane

C12H20O — CID 22768307

IUPAC2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane
SMILESC/C=C/C1(CC)OC1(/C=C/C)CC
InChIInChI=1S/C12H20O/c1-5-9-11(7-3)12(8-4,13-11)10-6-2/h5-6,9-10H,7-8H2,1-4H3/b9-5+,10-6+
InChIKeyCULKVWDDENBOFC-NXZHAISVSA-N
MW180.29 g/mol
LogP3.47
Rot. Bonds4

About 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane

2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane (PubChem CID 22768307) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane.

Molecular Properties

Compound Name2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane
PubChem CID22768307
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane
SMILESC/C=C/C1(CC)OC1(/C=C/C)CC
InChIInChI=1S/C12H20O/c1-5-9-11(7-3)12(8-4,13-11)10-6-2/h5-6,9-10H,7-8H2,1-4H3/b9-5+,10-6+
InChIKeyCULKVWDDENBOFC-NXZHAISVSA-N
XLogP3.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.47
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 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane?
The IUPAC name of 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane (CID 22768307) is 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane.
What is the SMILES notation for 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane?
The canonical SMILES for 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane is C/C=C/C1(CC)OC1(/C=C/C)CC.
What is the InChIKey of 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane?
The InChIKey is CULKVWDDENBOFC-NXZHAISVSA-N. The full InChI is InChI=1S/C12H20O/c1-5-9-11(7-3)12(8-4,13-11)10-6-2/h5-6,9-10H,7-8H2,1-4H3/b9-5+,10-6+.
What are the key properties of 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane?
2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane has a molecular weight of 180.29 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-2,3-bis[(E)-prop-1-enyl]oxirane is sourced from PubChem (CID 22768307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).