bis(2-cyclopentylethyl) propanedioate

C17H28O4 — CID 67140627

IUPACbis(2-cyclopentylethyl) propanedioate
SMILESO=C(CC(=O)OCCC1CCCC1)OCCC1CCCC1
InChIInChI=1S/C17H28O4/c18-16(20-11-9-14-5-1-2-6-14)13-17(19)21-12-10-15-7-3-4-8-15/h14-15H,1-13H2
InChIKeyXOGOZMIWJNWCDL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.62
Rot. Bonds8

About bis(2-cyclopentylethyl) propanedioate

bis(2-cyclopentylethyl) propanedioate (PubChem CID 67140627) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is bis(2-cyclopentylethyl) propanedioate.

Molecular Properties

Compound Namebis(2-cyclopentylethyl) propanedioate
PubChem CID67140627
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Namebis(2-cyclopentylethyl) propanedioate
SMILESO=C(CC(=O)OCCC1CCCC1)OCCC1CCCC1
InChIInChI=1S/C17H28O4/c18-16(20-11-9-14-5-1-2-6-14)13-17(19)21-12-10-15-7-3-4-8-15/h14-15H,1-13H2
InChIKeyXOGOZMIWJNWCDL-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
2-cyclopentylethyl butanoate
CID 142409115
2-cyclobutylethyl 2-sulfanylacetate
CID 106208012
2-cyclopentylethyl methyl carbonate
CID 66771150
2-cyclohexylethyl carbonochloridate
CID 19994353
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
propyl 3-cyclopentylpropanoate
CID 43389546
1-O-(2-cyclohexylethyl) 4-O-(2-methylpropyl) butanedioate
CID 91704743
2-cyclopentylethyl prop-2-ynoate
CID 154203049
2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
CID 106202501
butyl 4-cyclopentylbutanoate
CID 175866077

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclopentylethyl) propanedioate?
The IUPAC name of bis(2-cyclopentylethyl) propanedioate (CID 67140627) is bis(2-cyclopentylethyl) propanedioate.
What is the SMILES notation for bis(2-cyclopentylethyl) propanedioate?
The canonical SMILES for bis(2-cyclopentylethyl) propanedioate is O=C(CC(=O)OCCC1CCCC1)OCCC1CCCC1.
What is the InChIKey of bis(2-cyclopentylethyl) propanedioate?
The InChIKey is XOGOZMIWJNWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c18-16(20-11-9-14-5-1-2-6-14)13-17(19)21-12-10-15-7-3-4-8-15/h14-15H,1-13H2.
What are the key properties of bis(2-cyclopentylethyl) propanedioate?
bis(2-cyclopentylethyl) propanedioate has a molecular weight of 296.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopentylethyl) propanedioate is sourced from PubChem (CID 67140627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).