2,3-bis(1-chloroethyl)oxirane

C6H10Cl2O — CID 21452240

IUPAC2,3-bis(1-chloroethyl)oxirane
SMILESCC(Cl)C1OC1C(C)Cl
InChIInChI=1S/C6H10Cl2O/c1-3(7)5-6(9-5)4(2)8/h3-6H,1-2H3
InChIKeyTTYOZMIKBYZEGL-UHFFFAOYSA-N
MW169.05 g/mol
LogP2.01
Rot. Bonds2

About 2,3-bis(1-chloroethyl)oxirane

2,3-bis(1-chloroethyl)oxirane (PubChem CID 21452240) has the molecular formula C6H10Cl2O and a molecular weight of 169.05 g/mol. Its IUPAC name is 2,3-bis(1-chloroethyl)oxirane.

Molecular Properties

Compound Name2,3-bis(1-chloroethyl)oxirane
PubChem CID21452240
Molecular FormulaC6H10Cl2O
Molecular Weight169.05 g/mol
Exact Mass168.01
IUPAC Name2,3-bis(1-chloroethyl)oxirane
SMILESCC(Cl)C1OC1C(C)Cl
InChIInChI=1S/C6H10Cl2O/c1-3(7)5-6(9-5)4(2)8/h3-6H,1-2H3
InChIKeyTTYOZMIKBYZEGL-UHFFFAOYSA-N
XLogP2.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.05
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-bis(1-chloroethyl)oxirane?
The IUPAC name of 2,3-bis(1-chloroethyl)oxirane (CID 21452240) is 2,3-bis(1-chloroethyl)oxirane.
What is the SMILES notation for 2,3-bis(1-chloroethyl)oxirane?
The canonical SMILES for 2,3-bis(1-chloroethyl)oxirane is CC(Cl)C1OC1C(C)Cl.
What is the InChIKey of 2,3-bis(1-chloroethyl)oxirane?
The InChIKey is TTYOZMIKBYZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl2O/c1-3(7)5-6(9-5)4(2)8/h3-6H,1-2H3.
What are the key properties of 2,3-bis(1-chloroethyl)oxirane?
2,3-bis(1-chloroethyl)oxirane has a molecular weight of 169.05 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1-chloroethyl)oxirane is sourced from PubChem (CID 21452240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).