cyclopentyl 3-cyclopentylpropanoate

C13H22O2 — CID 534685

IUPACcyclopentyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC1CCCC1
InChIInChI=1S/C13H22O2/c14-13(15-12-7-3-4-8-12)10-9-11-5-1-2-6-11/h11-12H,1-10H2
InChIKeyDAADOGCXJWYDEZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds4

About cyclopentyl 3-cyclopentylpropanoate

cyclopentyl 3-cyclopentylpropanoate (PubChem CID 534685) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is cyclopentyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Namecyclopentyl 3-cyclopentylpropanoate
PubChem CID534685
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namecyclopentyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OC1CCCC1
InChIInChI=1S/C13H22O2/c14-13(15-12-7-3-4-8-12)10-9-11-5-1-2-6-11/h11-12H,1-10H2
InChIKeyDAADOGCXJWYDEZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-cyclopentylpropanoate?
The IUPAC name of cyclopentyl 3-cyclopentylpropanoate (CID 534685) is cyclopentyl 3-cyclopentylpropanoate.
What is the SMILES notation for cyclopentyl 3-cyclopentylpropanoate?
The canonical SMILES for cyclopentyl 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-cyclopentylpropanoate?
The InChIKey is DAADOGCXJWYDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-13(15-12-7-3-4-8-12)10-9-11-5-1-2-6-11/h11-12H,1-10H2.
What are the key properties of cyclopentyl 3-cyclopentylpropanoate?
cyclopentyl 3-cyclopentylpropanoate has a molecular weight of 210.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-cyclopentylpropanoate is sourced from PubChem (CID 534685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).