2-chloroprop-2-enyl ethyl carbonate

C6H9ClO3 — CID 10964862

IUPAC2-chloroprop-2-enyl ethyl carbonate
SMILESC=C(Cl)COC(=O)OCC
InChIInChI=1S/C6H9ClO3/c1-3-9-6(8)10-4-5(2)7/h2-4H2,1H3
InChIKeyUQGKVZZMLOARDF-UHFFFAOYSA-N
MW164.59 g/mol
LogP1.91
Rot. Bonds3

About 2-chloroprop-2-enyl ethyl carbonate

2-chloroprop-2-enyl ethyl carbonate (PubChem CID 10964862) has the molecular formula C6H9ClO3 and a molecular weight of 164.59 g/mol. Its IUPAC name is 2-chloroprop-2-enyl ethyl carbonate.

Molecular Properties

Compound Name2-chloroprop-2-enyl ethyl carbonate
PubChem CID10964862
Molecular FormulaC6H9ClO3
Molecular Weight164.59 g/mol
Exact Mass164.02
IUPAC Name2-chloroprop-2-enyl ethyl carbonate
SMILESC=C(Cl)COC(=O)OCC
InChIInChI=1S/C6H9ClO3/c1-3-9-6(8)10-4-5(2)7/h2-4H2,1H3
InChIKeyUQGKVZZMLOARDF-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl ethyl carbonate?
The IUPAC name of 2-chloroprop-2-enyl ethyl carbonate (CID 10964862) is 2-chloroprop-2-enyl ethyl carbonate.
What is the SMILES notation for 2-chloroprop-2-enyl ethyl carbonate?
The canonical SMILES for 2-chloroprop-2-enyl ethyl carbonate is C=C(Cl)COC(=O)OCC.
What is the InChIKey of 2-chloroprop-2-enyl ethyl carbonate?
The InChIKey is UQGKVZZMLOARDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO3/c1-3-9-6(8)10-4-5(2)7/h2-4H2,1H3.
What are the key properties of 2-chloroprop-2-enyl ethyl carbonate?
2-chloroprop-2-enyl ethyl carbonate has a molecular weight of 164.59 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl ethyl carbonate is sourced from PubChem (CID 10964862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).