2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate

C6H8Cl2O8 — CID 142696815

IUPAC2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate
SMILESO=C(OCCCl)OOOOC(=O)OCCCl
InChIInChI=1S/C6H8Cl2O8/c7-1-3-11-5(9)13-15-16-14-6(10)12-4-2-8/h1-4H2
InChIKeyQWHWTUVWDFJTNS-UHFFFAOYSA-N
MW279.03 g/mol
LogP1.55
Rot. Bonds7

About 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate

2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate (PubChem CID 142696815) has the molecular formula C6H8Cl2O8 and a molecular weight of 279.03 g/mol. Its IUPAC name is 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate.

Molecular Properties

Compound Name2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate
PubChem CID142696815
Molecular FormulaC6H8Cl2O8
Molecular Weight279.03 g/mol
Exact Mass277.96
IUPAC Name2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate
SMILESO=C(OCCCl)OOOOC(=O)OCCCl
InChIInChI=1S/C6H8Cl2O8/c7-1-3-11-5(9)13-15-16-14-6(10)12-4-2-8/h1-4H2
InChIKeyQWHWTUVWDFJTNS-UHFFFAOYSA-N
XLogP1.55
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.03
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate?
The IUPAC name of 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate (CID 142696815) is 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate.
What is the SMILES notation for 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate?
The canonical SMILES for 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate is O=C(OCCCl)OOOOC(=O)OCCCl.
What is the InChIKey of 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate?
The InChIKey is QWHWTUVWDFJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O8/c7-1-3-11-5(9)13-15-16-14-6(10)12-4-2-8/h1-4H2.
What are the key properties of 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate?
2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate has a molecular weight of 279.03 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxycarbonyloxyperoxy 2-chloroethyl carbonate is sourced from PubChem (CID 142696815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).