4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane

C8H11ClO3 — CID 89149316

IUPAC4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane
SMILESC=C(CCl)OCC1COC(=C)O1
InChIInChI=1S/C8H11ClO3/c1-6(3-9)10-4-8-5-11-7(2)12-8/h8H,1-5H2
InChIKeyDUESRIFCGVYJGU-UHFFFAOYSA-N
MW190.63 g/mol
LogP1.64
Rot. Bonds4

About 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane

4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane (PubChem CID 89149316) has the molecular formula C8H11ClO3 and a molecular weight of 190.63 g/mol. Its IUPAC name is 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane.

Molecular Properties

Compound Name4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane
PubChem CID89149316
Molecular FormulaC8H11ClO3
Molecular Weight190.63 g/mol
Exact Mass190.04
IUPAC Name4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane
SMILESC=C(CCl)OCC1COC(=C)O1
InChIInChI=1S/C8H11ClO3/c1-6(3-9)10-4-8-5-11-7(2)12-8/h8H,1-5H2
InChIKeyDUESRIFCGVYJGU-UHFFFAOYSA-N
XLogP1.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-Chloroprop-1-en-2-yl)oxy]-2-methyl-1,3-dioxolane
CID 71331648
(S)-4-(((1,2-Dichlorovinyl)oxy)methyl)-2,2-dimethyl-1,3-dioxolane
CID 164886387

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane?
The IUPAC name of 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane (CID 89149316) is 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane.
What is the SMILES notation for 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane?
The canonical SMILES for 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane is C=C(CCl)OCC1COC(=C)O1.
What is the InChIKey of 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane?
The InChIKey is DUESRIFCGVYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO3/c1-6(3-9)10-4-8-5-11-7(2)12-8/h8H,1-5H2.
What are the key properties of 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane?
4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane has a molecular weight of 190.63 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-en-2-yloxymethyl)-2-methylidene-1,3-dioxolane is sourced from PubChem (CID 89149316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).