bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride

C8H10Cl2O6 — CID 155286842

IUPACbis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
SMILESO=C(Cl)Cl.O=C(OCC1CO1)OCC1CO1
InChIInChI=1S/C7H10O5.CCl2O/c8-7(11-3-5-1-9-5)12-4-6-2-10-6;2-1(3)4/h5-6H,1-4H2;
InChIKeyBARBMIXBUVXQHZ-UHFFFAOYSA-N
MW273.07 g/mol
LogP1.52
Rot. Bonds4

About bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride

bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride (PubChem CID 155286842) has the molecular formula C8H10Cl2O6 and a molecular weight of 273.07 g/mol. Its IUPAC name is bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride.

Molecular Properties

Compound Namebis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
PubChem CID155286842
Molecular FormulaC8H10Cl2O6
Molecular Weight273.07 g/mol
Exact Mass271.99
IUPAC Namebis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
SMILESO=C(Cl)Cl.O=C(OCC1CO1)OCC1CO1
InChIInChI=1S/C7H10O5.CCl2O/c8-7(11-3-5-1-9-5)12-4-6-2-10-6;2-1(3)4/h5-6H,1-4H2;
InChIKeyBARBMIXBUVXQHZ-UHFFFAOYSA-N
XLogP1.52
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.07
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

bis(oxiran-2-ylmethyl) carbonate
CID 13170402
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 110189647
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916
oxiran-2-ylmethoxy carbonochloridate
CID 87599534
bis(oxiran-2-ylmethyl) cyclohexane-1,3-dicarboxylate
CID 23434861
bis[(2-oxo-1,3-oxathiolan-5-yl)methyl] carbonate
CID 155286898

Frequently Asked Questions

What is the IUPAC name of bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride?
The IUPAC name of bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride (CID 155286842) is bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride.
What is the SMILES notation for bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride?
The canonical SMILES for bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride is O=C(Cl)Cl.O=C(OCC1CO1)OCC1CO1.
What is the InChIKey of bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride?
The InChIKey is BARBMIXBUVXQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5.CCl2O/c8-7(11-3-5-1-9-5)12-4-6-2-10-6;2-1(3)4/h5-6H,1-4H2;.
What are the key properties of bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride?
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride has a molecular weight of 273.07 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride is sourced from PubChem (CID 155286842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).