diethyl cyclopentane-1,2-dicarboxylate

C11H18O4 — CID 3021700

IUPACdiethyl cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CCCC1C(=O)OCC
InChIInChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKeyYLRALQSVMCXBSD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds4

About diethyl cyclopentane-1,2-dicarboxylate

diethyl cyclopentane-1,2-dicarboxylate (PubChem CID 3021700) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is diethyl cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl cyclopentane-1,2-dicarboxylate
PubChem CID3021700
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namediethyl cyclopentane-1,2-dicarboxylate
SMILESCCOC(=O)C1CCCC1C(=O)OCC
InChIInChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKeyYLRALQSVMCXBSD-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl cyclopentane-1,2-dicarboxylate?
The IUPAC name of diethyl cyclopentane-1,2-dicarboxylate (CID 3021700) is diethyl cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for diethyl cyclopentane-1,2-dicarboxylate?
The canonical SMILES for diethyl cyclopentane-1,2-dicarboxylate is CCOC(=O)C1CCCC1C(=O)OCC.
What is the InChIKey of diethyl cyclopentane-1,2-dicarboxylate?
The InChIKey is YLRALQSVMCXBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-10(12)8-6-5-7-9(8)11(13)15-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of diethyl cyclopentane-1,2-dicarboxylate?
diethyl cyclopentane-1,2-dicarboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 3021700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).