methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate

C11H18O4 — CID 102229294

IUPACmethyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate
SMILESCOC(=O)[C@]1([C@H](O)C2CCCCC2)CO1
InChIInChI=1S/C11H18O4/c1-14-10(13)11(7-15-11)9(12)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3/t9-,11-/m1/s1
InChIKeyNVZJUBUHPJFFNT-MWLCHTKSSA-N
MW214.26 g/mol
LogP0.87
Rot. Bonds3

About methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate

methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate (PubChem CID 102229294) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate
PubChem CID102229294
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate
SMILESCOC(=O)[C@]1([C@H](O)C2CCCCC2)CO1
InChIInChI=1S/C11H18O4/c1-14-10(13)11(7-15-11)9(12)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3/t9-,11-/m1/s1
InChIKeyNVZJUBUHPJFFNT-MWLCHTKSSA-N
XLogP0.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyclopentyloxirane-2-carboxylate
CID 91618657
methyl 2-(5-cyclooctylhexyl)oxirane-2-carboxylate
CID 88745028
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
methyl (2R)-3-amino-3-cyclohexyl-2-hydroxypropanoate
CID 143700706
methyl (1R)-1-[(R)-cyclohexyl(hydroxy)methyl]-4-methylcyclohex-3-ene-1-carboxylate
CID 11242578
methyl (1S)-1-[(S)-cyclohexyl(hydroxy)methyl]-4-methylcyclohex-3-ene-1-carboxylate
CID 139039644
methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 2-[hydroxy(1H-pyrrol-2-yl)methyl]oxirane-2-carboxylate
CID 71477654
methyl 3-cyclohexylsulfonyloxetane-3-carboxylate
CID 117037599
dimethyl 2-cyclohexylpropanedioate
CID 2793740
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate?
The IUPAC name of methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate (CID 102229294) is methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate?
The canonical SMILES for methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate is COC(=O)[C@]1([C@H](O)C2CCCCC2)CO1.
What is the InChIKey of methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate?
The InChIKey is NVZJUBUHPJFFNT-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H18O4/c1-14-10(13)11(7-15-11)9(12)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3/t9-,11-/m1/s1.
What are the key properties of methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate?
methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(R)-cyclohexyl(hydroxy)methyl]oxirane-2-carboxylate is sourced from PubChem (CID 102229294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).