bis(oxiran-2-ylmethyl) carbonate

C7H10O5 — CID 13170402

IUPACbis(oxiran-2-ylmethyl) carbonate
SMILESO=C(OCC1CO1)OCC1CO1
InChIInChI=1S/C7H10O5/c8-7(11-3-5-1-9-5)12-4-6-2-10-6/h5-6H,1-4H2
InChIKeyNTJYFWYFUKSSEM-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.06
Rot. Bonds4

About bis(oxiran-2-ylmethyl) carbonate

bis(oxiran-2-ylmethyl) carbonate (PubChem CID 13170402) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is bis(oxiran-2-ylmethyl) carbonate.

Molecular Properties

Compound Namebis(oxiran-2-ylmethyl) carbonate
PubChem CID13170402
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Namebis(oxiran-2-ylmethyl) carbonate
SMILESO=C(OCC1CO1)OCC1CO1
InChIInChI=1S/C7H10O5/c8-7(11-3-5-1-9-5)12-4-6-2-10-6/h5-6H,1-4H2
InChIKeyNTJYFWYFUKSSEM-UHFFFAOYSA-N
XLogP-0.06
TPSA60.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
benzyl oxiran-2-ylmethyl carbonate
CID 88672245
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
oxiran-2-ylmethoxycarbonyl prop-2-enoate
CID 174457272
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916
oxiran-2-ylmethyl N-silylcarbamate
CID 173486897
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436

Frequently Asked Questions

What is the IUPAC name of bis(oxiran-2-ylmethyl) carbonate?
The IUPAC name of bis(oxiran-2-ylmethyl) carbonate (CID 13170402) is bis(oxiran-2-ylmethyl) carbonate.
What is the SMILES notation for bis(oxiran-2-ylmethyl) carbonate?
The canonical SMILES for bis(oxiran-2-ylmethyl) carbonate is O=C(OCC1CO1)OCC1CO1.
What is the InChIKey of bis(oxiran-2-ylmethyl) carbonate?
The InChIKey is NTJYFWYFUKSSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-7(11-3-5-1-9-5)12-4-6-2-10-6/h5-6H,1-4H2.
What are the key properties of bis(oxiran-2-ylmethyl) carbonate?
bis(oxiran-2-ylmethyl) carbonate has a molecular weight of 174.15 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxiran-2-ylmethyl) carbonate is sourced from PubChem (CID 13170402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).