bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate

C20H28O8 — CID 154293295

IUPACbis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate
SMILESO=C(OCC1CO1)C1(CC2CO2)CCCCC1(CC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C20H28O8/c21-17(27-11-15-9-25-15)19(5-13-7-23-13)3-1-2-4-20(19,6-14-8-24-14)18(22)28-12-16-10-26-16/h13-16H,1-12H2
InChIKeyUWIPYUSEDFAGCF-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.00
Rot. Bonds10

About bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate

bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate (PubChem CID 154293295) has the molecular formula C20H28O8 and a molecular weight of 396.44 g/mol. Its IUPAC name is bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate
PubChem CID154293295
Molecular FormulaC20H28O8
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Namebis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate
SMILESO=C(OCC1CO1)C1(CC2CO2)CCCCC1(CC1CO1)C(=O)OCC1CO1
InChIInChI=1S/C20H28O8/c21-17(27-11-15-9-25-15)19(5-13-7-23-13)3-1-2-4-20(19,6-14-8-24-14)18(22)28-12-16-10-26-16/h13-16H,1-12H2
InChIKeyUWIPYUSEDFAGCF-UHFFFAOYSA-N
XLogP1.00
TPSA102.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-ylmethyl 1-methylcyclopropane-1-carboxylate
CID 110189647
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
[(2R)-oxiran-2-yl]methyl adamantane-1-carboxylate
CID 915609
oxiran-2-ylmethyl N-silylcarbamate
CID 173486897
1-(oxiran-2-ylmethoxycarbonyl)cyclopenta-2,4-diene-1-carboxylic acid
CID 158404515
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
[(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-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
CID 156636382
1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
CID 151360819

Frequently Asked Questions

What is the IUPAC name of bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate?
The IUPAC name of bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate (CID 154293295) is bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate.
What is the SMILES notation for bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate?
The canonical SMILES for bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate is O=C(OCC1CO1)C1(CC2CO2)CCCCC1(CC1CO1)C(=O)OCC1CO1.
What is the InChIKey of bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate?
The InChIKey is UWIPYUSEDFAGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O8/c21-17(27-11-15-9-25-15)19(5-13-7-23-13)3-1-2-4-20(19,6-14-8-24-14)18(22)28-12-16-10-26-16/h13-16H,1-12H2.
What are the key properties of bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate?
bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate has a molecular weight of 396.44 g/mol, XLogP of 1.00, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxiran-2-ylmethyl) 1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-dicarboxylate is sourced from PubChem (CID 154293295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).