3-chloro-2-prop-2-enyloxolane

C7H11ClO — CID 13494562

IUPAC3-chloro-2-prop-2-enyloxolane
SMILESC=CCC1OCCC1Cl
InChIInChI=1S/C7H11ClO/c1-2-3-7-6(8)4-5-9-7/h2,6-7H,1,3-5H2
InChIKeyVIGDCBAAVBRVCW-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.96
Rot. Bonds2

About 3-chloro-2-prop-2-enyloxolane

3-chloro-2-prop-2-enyloxolane (PubChem CID 13494562) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is 3-chloro-2-prop-2-enyloxolane.

Molecular Properties

Compound Name3-chloro-2-prop-2-enyloxolane
PubChem CID13494562
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name3-chloro-2-prop-2-enyloxolane
SMILESC=CCC1OCCC1Cl
InChIInChI=1S/C7H11ClO/c1-2-3-7-6(8)4-5-9-7/h2,6-7H,1,3-5H2
InChIKeyVIGDCBAAVBRVCW-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.96
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'}

Analyze 3-chloro-2-prop-2-enyloxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-prop-2-enyloxolane?
The IUPAC name of 3-chloro-2-prop-2-enyloxolane (CID 13494562) is 3-chloro-2-prop-2-enyloxolane.
What is the SMILES notation for 3-chloro-2-prop-2-enyloxolane?
The canonical SMILES for 3-chloro-2-prop-2-enyloxolane is C=CCC1OCCC1Cl.
What is the InChIKey of 3-chloro-2-prop-2-enyloxolane?
The InChIKey is VIGDCBAAVBRVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO/c1-2-3-7-6(8)4-5-9-7/h2,6-7H,1,3-5H2.
What are the key properties of 3-chloro-2-prop-2-enyloxolane?
3-chloro-2-prop-2-enyloxolane has a molecular weight of 146.62 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-prop-2-enyloxolane is sourced from PubChem (CID 13494562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).