oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate

C15H22O5 — CID 89411079

IUPACoxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate
SMILESO=C(CCC1CO1)C1CCCCC1C(=O)OCC1CO1
InChIInChI=1S/C15H22O5/c16-14(6-5-10-7-18-10)12-3-1-2-4-13(12)15(17)20-9-11-8-19-11/h10-13H,1-9H2
InChIKeySLGMXCNJWUORTL-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.48
Rot. Bonds7

About oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate

oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate (PubChem CID 89411079) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate
PubChem CID89411079
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Nameoxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate
SMILESO=C(CCC1CO1)C1CCCCC1C(=O)OCC1CO1
InChIInChI=1S/C15H22O5/c16-14(6-5-10-7-18-10)12-3-1-2-4-13(12)15(17)20-9-11-8-19-11/h10-13H,1-9H2
InChIKeySLGMXCNJWUORTL-UHFFFAOYSA-N
XLogP1.48
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.48
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) cyclopropane-1,2-dicarboxylate
CID 23069347
[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 174137940
5-(oxiran-2-ylmethoxycarbonyl)oxepane-4-carboxylic acid
CID 174864360
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
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
trans-(1R,2R)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903798
cis-(1R,2S)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903802
bis[4-(oxiran-2-ylmethoxy)phenyl]methanone;bis(oxiran-2-ylmethyl) butanedioate;bis(oxiran-2-ylmethyl) cyclohexane-1,2-dicarboxylate;2-[[4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxymethyl]oxirane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfonylphenoxy]methyl]oxirane
CID 167550520
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
3-(oxiran-2-ylmethoxycarbonyl)-7-oxabicyclo[4.1.0]hept-1(6)-ene-2-carboxylic acid
CID 174610061

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate?
The IUPAC name of oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate (CID 89411079) is oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate.
What is the SMILES notation for oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate?
The canonical SMILES for oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate is O=C(CCC1CO1)C1CCCCC1C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate?
The InChIKey is SLGMXCNJWUORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c16-14(6-5-10-7-18-10)12-3-1-2-4-13(12)15(17)20-9-11-8-19-11/h10-13H,1-9H2.
What are the key properties of oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate?
oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-[3-(oxiran-2-yl)propanoyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 89411079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).