[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate

C15H22O6 — CID 174137940

IUPAC[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate
SMILESO=C(CC1CCCCC1C(=O)OC[C@@H]1CO1)OC[C@H]1CO1
InChIInChI=1S/C15H22O6/c16-14(20-8-11-6-18-11)5-10-3-1-2-4-13(10)15(17)21-9-12-7-19-12/h10-13H,1-9H2/t10?,11-,12+,13?/m1/s1
InChIKeyUNFIPUSUPJXDSH-QBHFIFKDSA-N
MW298.34 g/mol
LogP1.07
Rot. Bonds7

About [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate

[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate (PubChem CID 174137940) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate
PubChem CID174137940
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate
SMILESO=C(CC1CCCCC1C(=O)OC[C@@H]1CO1)OC[C@H]1CO1
InChIInChI=1S/C15H22O6/c16-14(20-8-11-6-18-11)5-10-3-1-2-4-13(10)15(17)21-9-12-7-19-12/h10-13H,1-9H2/t10?,11-,12+,13?/m1/s1
InChIKeyUNFIPUSUPJXDSH-QBHFIFKDSA-N
XLogP1.07
TPSA77.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
CID 22381567
oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate
CID 89411079
bis(oxiran-2-ylmethyl) cyclohexane-1,3-dicarboxylate
CID 23434861
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
5-(oxiran-2-ylmethoxycarbonyl)oxepane-4-carboxylic acid
CID 174864360
6-methylheptyl 2-[2-(6-methylheptoxy)-2-oxoethyl]cyclohexane-1-carboxylate
CID 140520789
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
CID 156636382
oxiran-2-ylmethyl 2-[3,5,7-tris[2-(oxiran-2-ylmethoxy)-2-oxoethyl]-1-adamantyl]acetate
CID 87387868

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate?
The IUPAC name of [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate (CID 174137940) is [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate.
What is the SMILES notation for [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate?
The canonical SMILES for [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate is O=C(CC1CCCCC1C(=O)OC[C@@H]1CO1)OC[C@H]1CO1.
What is the InChIKey of [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate?
The InChIKey is UNFIPUSUPJXDSH-QBHFIFKDSA-N. The full InChI is InChI=1S/C15H22O6/c16-14(20-8-11-6-18-11)5-10-3-1-2-4-13(10)15(17)21-9-12-7-19-12/h10-13H,1-9H2/t10?,11-,12+,13?/m1/s1.
What are the key properties of [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate?
[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 174137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).