bis(3,3-dichloroprop-1-enyl) carbonate

C7H6Cl4O3 — CID 175158408

IUPACbis(3,3-dichloroprop-1-enyl) carbonate
SMILESO=C(OC=CC(Cl)Cl)OC=CC(Cl)Cl
InChIInChI=1S/C7H6Cl4O3/c8-5(9)1-3-13-7(12)14-4-2-6(10)11/h1-6H
InChIKeyYXYMPPKBIPDWHQ-UHFFFAOYSA-N
MW279.93 g/mol
LogP3.77
Rot. Bonds4

About bis(3,3-dichloroprop-1-enyl) carbonate

bis(3,3-dichloroprop-1-enyl) carbonate (PubChem CID 175158408) has the molecular formula C7H6Cl4O3 and a molecular weight of 279.93 g/mol. Its IUPAC name is bis(3,3-dichloroprop-1-enyl) carbonate.

Molecular Properties

Compound Namebis(3,3-dichloroprop-1-enyl) carbonate
PubChem CID175158408
Molecular FormulaC7H6Cl4O3
Molecular Weight279.93 g/mol
Exact Mass277.91
IUPAC Namebis(3,3-dichloroprop-1-enyl) carbonate
SMILESO=C(OC=CC(Cl)Cl)OC=CC(Cl)Cl
InChIInChI=1S/C7H6Cl4O3/c8-5(9)1-3-13-7(12)14-4-2-6(10)11/h1-6H
InChIKeyYXYMPPKBIPDWHQ-UHFFFAOYSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.93
LogP ≤ 53.77
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 bis(3,3-dichloroprop-1-enyl) carbonate?
The IUPAC name of bis(3,3-dichloroprop-1-enyl) carbonate (CID 175158408) is bis(3,3-dichloroprop-1-enyl) carbonate.
What is the SMILES notation for bis(3,3-dichloroprop-1-enyl) carbonate?
The canonical SMILES for bis(3,3-dichloroprop-1-enyl) carbonate is O=C(OC=CC(Cl)Cl)OC=CC(Cl)Cl.
What is the InChIKey of bis(3,3-dichloroprop-1-enyl) carbonate?
The InChIKey is YXYMPPKBIPDWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl4O3/c8-5(9)1-3-13-7(12)14-4-2-6(10)11/h1-6H.
What are the key properties of bis(3,3-dichloroprop-1-enyl) carbonate?
bis(3,3-dichloroprop-1-enyl) carbonate has a molecular weight of 279.93 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-dichloroprop-1-enyl) carbonate is sourced from PubChem (CID 175158408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).