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

C14H18O5 — CID 177248601

IUPACdimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate
SMILESCOC(=O)C1=COC(C2CCCC2)C(C(=O)OC)=C1
InChIInChI=1S/C14H18O5/c1-17-13(15)10-7-11(14(16)18-2)12(19-8-10)9-5-3-4-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyXQUOLNPQAJKBMY-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.73
Rot. Bonds3

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

dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate (PubChem CID 177248601) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate
PubChem CID177248601
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namedimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate
SMILESCOC(=O)C1=COC(C2CCCC2)C(C(=O)OC)=C1
InChIInChI=1S/C14H18O5/c1-17-13(15)10-7-11(14(16)18-2)12(19-8-10)9-5-3-4-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyXQUOLNPQAJKBMY-UHFFFAOYSA-N
XLogP1.73
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate?
The IUPAC name of dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate (CID 177248601) is dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate is COC(=O)C1=COC(C2CCCC2)C(C(=O)OC)=C1.
What is the InChIKey of dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate?
The InChIKey is XQUOLNPQAJKBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-17-13(15)10-7-11(14(16)18-2)12(19-8-10)9-5-3-4-6-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate?
dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate has a molecular weight of 266.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-cyclopentyl-2H-pyran-3,5-dicarboxylate is sourced from PubChem (CID 177248601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).