methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate

C14H22O3 — CID 15441276

IUPACmethyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)[C@H]1C=C[C@H](C)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C14H22O3/c1-10-8-9-12(14(15)16-2)17-13(10)11-6-4-3-5-7-11/h8-13H,3-7H2,1-2H3/t10-,12+,13-/m0/s1
InChIKeySDUHDWPIFUWIOJ-UHTWSYAYSA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds2

About methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate

methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate (PubChem CID 15441276) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
PubChem CID15441276
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namemethyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)[C@H]1C=C[C@H](C)[C@@H](C2CCCCC2)O1
InChIInChI=1S/C14H22O3/c1-10-8-9-12(14(15)16-2)17-13(10)11-6-4-3-5-7-11/h8-13H,3-7H2,1-2H3/t10-,12+,13-/m0/s1
InChIKeySDUHDWPIFUWIOJ-UHTWSYAYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate with MolForge

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Related Compounds

ethyl (2S,5S)-5-butyl-5-hexyl-2H-furan-2-carboxylate
CID 134928348
Ethyl 2-oxabicyclo[2.2.2]oct-5-ene-3-carboxylate
CID 68029519
[2-[1-(5,5-Dimethylcyclohexen-1-yl)ethoxy]-2-oxoethyl] propanoate
CID 11448565
methyl (2R,6S)-2-cyclohexyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10561107
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(E)-hex-2-enoxy]-3-methylbut-3-enoate
CID 10664645
methyl (2R,6R)-2-cyclohexyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 10704365
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(Z)-hex-2-enoxy]-3-methylbut-3-enoate
CID 10735627
methyl (2R,3S,6R)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 11148550
[(E)-1-cyclohexylbut-2-enyl] acetate
CID 14993075
methyl (2R,3S,6S)-2-butyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 15441275
methyl (2R,3S,6S)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate
CID 15441277
Methyl 5-n-heptyl-2,5-dihydrofuran-2-carboxylate
CID 129812272

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate (CID 15441276) is methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate is COC(=O)[C@H]1C=C[C@H](C)[C@@H](C2CCCCC2)O1.
What is the InChIKey of methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
The InChIKey is SDUHDWPIFUWIOJ-UHTWSYAYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10-8-9-12(14(15)16-2)17-13(10)11-6-4-3-5-7-11/h8-13H,3-7H2,1-2H3/t10-,12+,13-/m0/s1.
What are the key properties of methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate?
methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,6R)-2-cyclohexyl-3-methyl-3,6-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 15441276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).