2-(chloromethyl)-3-prop-2-enyloxirane

C6H9ClO — CID 13354447

IUPAC2-(chloromethyl)-3-prop-2-enyloxirane
SMILESC=CCC1OC1CCl
InChIInChI=1S/C6H9ClO/c1-2-3-5-6(4-7)8-5/h2,5-6H,1,3-4H2
InChIKeyWQBBANVRKFCQBB-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.57
Rot. Bonds3

About 2-(chloromethyl)-3-prop-2-enyloxirane

2-(chloromethyl)-3-prop-2-enyloxirane (PubChem CID 13354447) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-(chloromethyl)-3-prop-2-enyloxirane.

Molecular Properties

Compound Name2-(chloromethyl)-3-prop-2-enyloxirane
PubChem CID13354447
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name2-(chloromethyl)-3-prop-2-enyloxirane
SMILESC=CCC1OC1CCl
InChIInChI=1S/C6H9ClO/c1-2-3-5-6(4-7)8-5/h2,5-6H,1,3-4H2
InChIKeyWQBBANVRKFCQBB-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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-(chloromethyl)-3-prop-2-enyloxirane?
The IUPAC name of 2-(chloromethyl)-3-prop-2-enyloxirane (CID 13354447) is 2-(chloromethyl)-3-prop-2-enyloxirane.
What is the SMILES notation for 2-(chloromethyl)-3-prop-2-enyloxirane?
The canonical SMILES for 2-(chloromethyl)-3-prop-2-enyloxirane is C=CCC1OC1CCl.
What is the InChIKey of 2-(chloromethyl)-3-prop-2-enyloxirane?
The InChIKey is WQBBANVRKFCQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-2-3-5-6(4-7)8-5/h2,5-6H,1,3-4H2.
What are the key properties of 2-(chloromethyl)-3-prop-2-enyloxirane?
2-(chloromethyl)-3-prop-2-enyloxirane has a molecular weight of 132.59 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-prop-2-enyloxirane is sourced from PubChem (CID 13354447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).