2-[2-(chloromethyl)prop-2-enoxy]oxane

C9H15ClO2 — CID 11367507

IUPAC2-[2-(chloromethyl)prop-2-enoxy]oxane
SMILESC=C(CCl)COC1CCCCO1
InChIInChI=1S/C9H15ClO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h9H,1-7H2
InChIKeyYMWCFWUXDHRJMR-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(chloromethyl)prop-2-enoxy]oxane

2-[2-(chloromethyl)prop-2-enoxy]oxane (PubChem CID 11367507) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enoxy]oxane.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enoxy]oxane
PubChem CID11367507
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name2-[2-(chloromethyl)prop-2-enoxy]oxane
SMILESC=C(CCl)COC1CCCCO1
InChIInChI=1S/C9H15ClO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h9H,1-7H2
InChIKeyYMWCFWUXDHRJMR-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(chloromethyl)prop-2-enoxy]oxane 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 2-[2-(chloromethyl)prop-2-enoxy]oxane?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enoxy]oxane (CID 11367507) is 2-[2-(chloromethyl)prop-2-enoxy]oxane.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enoxy]oxane?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enoxy]oxane is C=C(CCl)COC1CCCCO1.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enoxy]oxane?
The InChIKey is YMWCFWUXDHRJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-8(6-10)7-12-9-4-2-3-5-11-9/h9H,1-7H2.
What are the key properties of 2-[2-(chloromethyl)prop-2-enoxy]oxane?
2-[2-(chloromethyl)prop-2-enoxy]oxane has a molecular weight of 190.67 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enoxy]oxane is sourced from PubChem (CID 11367507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).