1-chloroethyl ethenyl carbonate

C5H7ClO3 — CID 175033888

IUPAC1-chloroethyl ethenyl carbonate
SMILESC=COC(=O)OC(C)Cl
InChIInChI=1S/C5H7ClO3/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3
InChIKeyUJDVFVFANZSMOV-UHFFFAOYSA-N
MW150.56 g/mol
LogP1.87
Rot. Bonds2

About 1-chloroethyl ethenyl carbonate

1-chloroethyl ethenyl carbonate (PubChem CID 175033888) has the molecular formula C5H7ClO3 and a molecular weight of 150.56 g/mol. Its IUPAC name is 1-chloroethyl ethenyl carbonate.

Molecular Properties

Compound Name1-chloroethyl ethenyl carbonate
PubChem CID175033888
Molecular FormulaC5H7ClO3
Molecular Weight150.56 g/mol
Exact Mass150.01
IUPAC Name1-chloroethyl ethenyl carbonate
SMILESC=COC(=O)OC(C)Cl
InChIInChI=1S/C5H7ClO3/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3
InChIKeyUJDVFVFANZSMOV-UHFFFAOYSA-N
XLogP1.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.56
LogP ≤ 51.87
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 1-chloroethyl ethenyl carbonate?
The IUPAC name of 1-chloroethyl ethenyl carbonate (CID 175033888) is 1-chloroethyl ethenyl carbonate.
What is the SMILES notation for 1-chloroethyl ethenyl carbonate?
The canonical SMILES for 1-chloroethyl ethenyl carbonate is C=COC(=O)OC(C)Cl.
What is the InChIKey of 1-chloroethyl ethenyl carbonate?
The InChIKey is UJDVFVFANZSMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClO3/c1-3-8-5(7)9-4(2)6/h3-4H,1H2,2H3.
What are the key properties of 1-chloroethyl ethenyl carbonate?
1-chloroethyl ethenyl carbonate has a molecular weight of 150.56 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethyl ethenyl carbonate is sourced from PubChem (CID 175033888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).