ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate

C17H26F2O5 — CID 156865296

IUPACethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)F)OC(OC2CCCCC2)CC1OCC
InChIInChI=1S/C17H26F2O5/c1-3-21-12-10-13(23-11-8-6-5-7-9-11)24-15(16(18)19)14(12)17(20)22-4-2/h11-13,16H,3-10H2,1-2H3
InChIKeySRHQOHCDSYPRLE-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.57
Rot. Bonds7

About ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate

ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate (PubChem CID 156865296) has the molecular formula C17H26F2O5 and a molecular weight of 348.39 g/mol. Its IUPAC name is ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate
PubChem CID156865296
Molecular FormulaC17H26F2O5
Molecular Weight348.39 g/mol
Exact Mass348.17
IUPAC Nameethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)F)OC(OC2CCCCC2)CC1OCC
InChIInChI=1S/C17H26F2O5/c1-3-21-12-10-13(23-11-8-6-5-7-9-11)24-15(16(18)19)14(12)17(20)22-4-2/h11-13,16H,3-10H2,1-2H3
InChIKeySRHQOHCDSYPRLE-UHFFFAOYSA-N
XLogP3.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-(difluoromethyl)-4-ethoxy-2-octoxy-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865295
ethyl 4-ethoxy-2-(2-methylpropoxy)-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865297
ethyl 2-cyclohexyloxy-4-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865298
ethyl 4-ethoxy-2-propoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865299
ethyl 4-ethoxy-2-octoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865300
ethyl 2-butoxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865302
ethyl 6-(difluoromethyl)-4-ethoxy-2-(2-methylpropoxy)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865303
ethyl 2-butoxy-4-ethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865306
ethyl 6-(difluoromethyl)-2,4-diethoxy-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865307
ethyl 6-(difluoromethyl)-4-ethoxy-2-propoxy-3,4-dihydro-2H-pyran-5-carboxylate
CID 156865308
1-[2-ethoxy-4-(2-methylpropoxy)-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 13418460
1-[2,4-diethoxy-6-(trifluoromethyl)-3,4-dihydro-2H-pyran-5-yl]-2,2,2-trifluoroethanone
CID 13418461

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate (CID 156865296) is ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate is CCOC(=O)C1=C(C(F)F)OC(OC2CCCCC2)CC1OCC.
What is the InChIKey of ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate?
The InChIKey is SRHQOHCDSYPRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2O5/c1-3-21-12-10-13(23-11-8-6-5-7-9-11)24-15(16(18)19)14(12)17(20)22-4-2/h11-13,16H,3-10H2,1-2H3.
What are the key properties of ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate?
ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate has a molecular weight of 348.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclohexyloxy-6-(difluoromethyl)-4-ethoxy-3,4-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 156865296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).