bis(2-chloroethenyl) carbonate

C5H4Cl2O3 — CID 91546582

IUPACbis(2-chloroethenyl) carbonate
SMILESO=C(OC=CCl)OC=CCl
InChIInChI=1S/C5H4Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H
InChIKeyVQZGKEZGMSNHAG-UHFFFAOYSA-N
MW182.99 g/mol
LogP2.56
Rot. Bonds2

About bis(2-chloroethenyl) carbonate

bis(2-chloroethenyl) carbonate (PubChem CID 91546582) has the molecular formula C5H4Cl2O3 and a molecular weight of 182.99 g/mol. Its IUPAC name is bis(2-chloroethenyl) carbonate.

Molecular Properties

Compound Namebis(2-chloroethenyl) carbonate
PubChem CID91546582
Molecular FormulaC5H4Cl2O3
Molecular Weight182.99 g/mol
Exact Mass181.95
IUPAC Namebis(2-chloroethenyl) carbonate
SMILESO=C(OC=CCl)OC=CCl
InChIInChI=1S/C5H4Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H
InChIKeyVQZGKEZGMSNHAG-UHFFFAOYSA-N
XLogP2.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.99
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethenyl) carbonate?
The IUPAC name of bis(2-chloroethenyl) carbonate (CID 91546582) is bis(2-chloroethenyl) carbonate.
What is the SMILES notation for bis(2-chloroethenyl) carbonate?
The canonical SMILES for bis(2-chloroethenyl) carbonate is O=C(OC=CCl)OC=CCl.
What is the InChIKey of bis(2-chloroethenyl) carbonate?
The InChIKey is VQZGKEZGMSNHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2O3/c6-1-3-9-5(8)10-4-2-7/h1-4H.
What are the key properties of bis(2-chloroethenyl) carbonate?
bis(2-chloroethenyl) carbonate has a molecular weight of 182.99 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethenyl) carbonate is sourced from PubChem (CID 91546582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).