2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane

C7H11ClO3 — CID 71331648

IUPAC2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane
SMILESC=C(CCl)OC1(C)OCCO1
InChIInChI=1S/C7H11ClO3/c1-6(5-8)11-7(2)9-3-4-10-7/h1,3-5H2,2H3
InChIKeyKNKWPPWVMLFFNY-UHFFFAOYSA-N
MW178.61 g/mol
LogP1.48
Rot. Bonds3

About 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane

2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane (PubChem CID 71331648) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane
PubChem CID71331648
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Name2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane
SMILESC=C(CCl)OC1(C)OCCO1
InChIInChI=1S/C7H11ClO3/c1-6(5-8)11-7(2)9-3-4-10-7/h1,3-5H2,2H3
InChIKeyKNKWPPWVMLFFNY-UHFFFAOYSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 51.48
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane (CID 71331648) is 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane is C=C(CCl)OC1(C)OCCO1.
What is the InChIKey of 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane?
The InChIKey is KNKWPPWVMLFFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO3/c1-6(5-8)11-7(2)9-3-4-10-7/h1,3-5H2,2H3.
What are the key properties of 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane?
2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane has a molecular weight of 178.61 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-en-2-yloxy)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 71331648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).