3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene

C11H17ClO3 — CID 19777599

IUPAC3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene
SMILESC=CCOC(Cl)C(OCC=C)OCC=C
InChIInChI=1S/C11H17ClO3/c1-4-7-13-10(12)11(14-8-5-2)15-9-6-3/h4-6,10-11H,1-3,7-9H2
InChIKeyBUBSVYLIGKZTDF-UHFFFAOYSA-N
MW232.71 g/mol
LogP2.49
Rot. Bonds10

About 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene

3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene (PubChem CID 19777599) has the molecular formula C11H17ClO3 and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene
PubChem CID19777599
Molecular FormulaC11H17ClO3
Molecular Weight232.71 g/mol
Exact Mass232.09
IUPAC Name3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene
SMILESC=CCOC(Cl)C(OCC=C)OCC=C
InChIInChI=1S/C11H17ClO3/c1-4-7-13-10(12)11(14-8-5-2)15-9-6-3/h4-6,10-11H,1-3,7-9H2
InChIKeyBUBSVYLIGKZTDF-UHFFFAOYSA-N
XLogP2.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene (CID 19777599) is 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene is C=CCOC(Cl)C(OCC=C)OCC=C.
What is the InChIKey of 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene?
The InChIKey is BUBSVYLIGKZTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO3/c1-4-7-13-10(12)11(14-8-5-2)15-9-6-3/h4-6,10-11H,1-3,7-9H2.
What are the key properties of 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene?
3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene has a molecular weight of 232.71 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-1,2-bis(prop-2-enoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 19777599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).