dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate

C15H20O5 — CID 177248593

IUPACdimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate
SMILESCOC(=O)C1=COC(C2CCCCC2)C(C(=O)OC)=C1
InChIInChI=1S/C15H20O5/c1-18-14(16)11-8-12(15(17)19-2)13(20-9-11)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyNVNLRVQKMAZUSF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds3

About dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate

dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate (PubChem CID 177248593) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate
PubChem CID177248593
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namedimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate
SMILESCOC(=O)C1=COC(C2CCCCC2)C(C(=O)OC)=C1
InChIInChI=1S/C15H20O5/c1-18-14(16)11-8-12(15(17)19-2)13(20-9-11)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyNVNLRVQKMAZUSF-UHFFFAOYSA-N
XLogP2.12
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Tricholactone
CID 146683654
3-(Cyclohexanecarbonyl)-4-hydroxy-6-methyl-2H-pyran-2-one
CID 54707318
15-methoxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxacyclododecine-1,12,13-trione
CID 139587163
methyl (3S,8S,8aR)-5-methyl-3-(3-methylbutanoyloxy)-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 162957860
methyl (3S,8S,8aR)-3-acetyloxy-5-methyl-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 162958858
methyl (3S,8S,8aR)-5-methyl-3-(2-methylpropanoyloxy)-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 163029327
methyl (3S,8S,8aR)-5-methyl-3-[(2R)-2-methylbutanoyl]oxy-8-propan-2-yl-3,4,6,7,8,8a-hexahydronaphthalene-2-carboxylate
CID 163048937
Ethyl 2-cyclohexyl-2,5-dihydrofuran-3-carboxylate
CID 44240897
Dimethyl 9-(trifluoromethyl)-1-oxaspiro[5.5]undeca-2,4-diene-3,5-dicarboxylate
CID 177248621
3-acetyl-2-cyclohexyl-2H-furan-5-one
CID 15209254
3-(Cyclohex-2'-enyl)-4-hydroxy-6-methyl pyran-2-one
CID 129838150
ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate
CID 134956984

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate (CID 177248593) is dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate is COC(=O)C1=COC(C2CCCCC2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate?
The InChIKey is NVNLRVQKMAZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-14(16)11-8-12(15(17)19-2)13(20-9-11)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate?
dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate has a molecular weight of 280.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclohexyl-2H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 177248593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).