dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate

C16H18O6S — CID 10337201

IUPACdimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate
SMILESCOC(=O)C1=C(OC)OC(Sc2ccccc2)CC1C(=O)OC
InChIInChI=1S/C16H18O6S/c1-19-14(17)11-9-12(23-10-7-5-4-6-8-10)22-16(21-3)13(11)15(18)20-2/h4-8,11-12H,9H2,1-3H3
InChIKeyYXIBWILYZMQTCA-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.35
Rot. Bonds5

About dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate

dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate (PubChem CID 10337201) has the molecular formula C16H18O6S and a molecular weight of 338.38 g/mol. Its IUPAC name is dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate
PubChem CID10337201
Molecular FormulaC16H18O6S
Molecular Weight338.38 g/mol
Exact Mass338.08
IUPAC Namedimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate
SMILESCOC(=O)C1=C(OC)OC(Sc2ccccc2)CC1C(=O)OC
InChIInChI=1S/C16H18O6S/c1-19-14(17)11-9-12(23-10-7-5-4-6-8-10)22-16(21-3)13(11)15(18)20-2/h4-8,11-12H,9H2,1-3H3
InChIKeyYXIBWILYZMQTCA-UHFFFAOYSA-N
XLogP2.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate?
The IUPAC name of dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate (CID 10337201) is dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate?
The canonical SMILES for dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate is COC(=O)C1=C(OC)OC(Sc2ccccc2)CC1C(=O)OC.
What is the InChIKey of dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate?
The InChIKey is YXIBWILYZMQTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S/c1-19-14(17)11-9-12(23-10-7-5-4-6-8-10)22-16(21-3)13(11)15(18)20-2/h4-8,11-12H,9H2,1-3H3.
What are the key properties of dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate?
dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate has a molecular weight of 338.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methoxy-2-phenylsulfanyl-3,4-dihydro-2H-pyran-4,5-dicarboxylate is sourced from PubChem (CID 10337201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).