dimethyl 2-(2-ethoxycyclopentyl)butanedioate

C13H22O5 — CID 134901824

IUPACdimethyl 2-(2-ethoxycyclopentyl)butanedioate
SMILESCCOC1CCCC1C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C13H22O5/c1-4-18-11-7-5-6-9(11)10(13(15)17-3)8-12(14)16-2/h9-11H,4-8H2,1-3H3
InChIKeyLDSHSHUPJYZYQW-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.54
Rot. Bonds6

About dimethyl 2-(2-ethoxycyclopentyl)butanedioate

dimethyl 2-(2-ethoxycyclopentyl)butanedioate (PubChem CID 134901824) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is dimethyl 2-(2-ethoxycyclopentyl)butanedioate.

Molecular Properties

Compound Namedimethyl 2-(2-ethoxycyclopentyl)butanedioate
PubChem CID134901824
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Namedimethyl 2-(2-ethoxycyclopentyl)butanedioate
SMILESCCOC1CCCC1C(CC(=O)OC)C(=O)OC
InChIInChI=1S/C13H22O5/c1-4-18-11-7-5-6-9(11)10(13(15)17-3)8-12(14)16-2/h9-11H,4-8H2,1-3H3
InChIKeyLDSHSHUPJYZYQW-UHFFFAOYSA-N
XLogP1.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-ethoxycyclopentyl)butanedioate?
The IUPAC name of dimethyl 2-(2-ethoxycyclopentyl)butanedioate (CID 134901824) is dimethyl 2-(2-ethoxycyclopentyl)butanedioate.
What is the SMILES notation for dimethyl 2-(2-ethoxycyclopentyl)butanedioate?
The canonical SMILES for dimethyl 2-(2-ethoxycyclopentyl)butanedioate is CCOC1CCCC1C(CC(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-(2-ethoxycyclopentyl)butanedioate?
The InChIKey is LDSHSHUPJYZYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-4-18-11-7-5-6-9(11)10(13(15)17-3)8-12(14)16-2/h9-11H,4-8H2,1-3H3.
What are the key properties of dimethyl 2-(2-ethoxycyclopentyl)butanedioate?
dimethyl 2-(2-ethoxycyclopentyl)butanedioate has a molecular weight of 258.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-ethoxycyclopentyl)butanedioate is sourced from PubChem (CID 134901824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).