ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate

C21H28O4 — CID 134931070

IUPACethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(O)C[C@H](C2CCCCC2)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H28O4/c1-2-24-21(23)20-17(22)14-18(16-11-7-4-8-12-16)25-19(20)13-15-9-5-3-6-10-15/h3,5-6,9-10,16,18-19,22H,2,4,7-8,11-14H2,1H3/t18-,19-/m1/s1
InChIKeyORSRYYYZQHRIJV-RTBURBONSA-N
MW344.45 g/mol
LogP4.34
Rot. Bonds5

About ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate

ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate (PubChem CID 134931070) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate
PubChem CID134931070
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Nameethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(O)C[C@H](C2CCCCC2)O[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H28O4/c1-2-24-21(23)20-17(22)14-18(16-11-7-4-8-12-16)25-19(20)13-15-9-5-3-6-10-15/h3,5-6,9-10,16,18-19,22H,2,4,7-8,11-14H2,1H3/t18-,19-/m1/s1
InChIKeyORSRYYYZQHRIJV-RTBURBONSA-N
XLogP4.34
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate with MolForge

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Related Compounds

2-O-benzyl 3-O-ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2H-pyrrole-2,3-dicarboxylate
CID 54733301
ethyl 3-benzyloxirane-2-carboxylate
CID 526766
cyclohexanol;diethyl benzene-1,2-dicarboxylate
CID 157482409
ethyl 1-benzyl-3-cyclohexyl-4-oxoazetidine-2-carboxylate
CID 101373236
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl 4-(cyclohexylmethyl)-3-(2-phenylethyl)benzoate
CID 159101265
ethyl 6-(2-cyclohexylethyl)-2-methyl-5-methylidene-4-phenyl-4H-pyran-3-carboxylate
CID 101499304
ethyl 3,6-dioxo-5-phenylmethoxy-2,9-diazatetracyclo[10.5.2.02,11.04,9]nonadeca-4,7-diene-7-carboxylate
CID 138501545
ethyl (1S,2S,6S,7S)-5,8-dioxo-4-phenyl-10-oxatricyclo[5.2.1.02,6]dec-3-ene-3-carboxylate
CID 10543108
ethyl 2-cyclohexyl-4-hydroxy-4-phenylpyrrolidine-1-carboxylate
CID 165351926
ethyl (2Z)-2-(2-benzylcyclopropylidene)hexanoate
CID 10333451
ethyl (3S)-3-benzyl-2-oxoazepane-1-carboxylate
CID 91438276

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate (CID 134931070) is ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=C(O)C[C@H](C2CCCCC2)O[C@@H]1Cc1ccccc1.
What is the InChIKey of ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate?
The InChIKey is ORSRYYYZQHRIJV-RTBURBONSA-N. The full InChI is InChI=1S/C21H28O4/c1-2-24-21(23)20-17(22)14-18(16-11-7-4-8-12-16)25-19(20)13-15-9-5-3-6-10-15/h3,5-6,9-10,16,18-19,22H,2,4,7-8,11-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate?
ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate has a molecular weight of 344.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6R)-6-benzyl-2-cyclohexyl-4-hydroxy-3,6-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 134931070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).