ethyl 4-cyclopentylpentanoate

C12H22O2 — CID 18433851

IUPACethyl 4-cyclopentylpentanoate
SMILESCCOC(=O)CCC(C)C1CCCC1
InChIInChI=1S/C12H22O2/c1-3-14-12(13)9-8-10(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyCLXAUJXWXFEYTQ-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.16
Rot. Bonds5

About ethyl 4-cyclopentylpentanoate

ethyl 4-cyclopentylpentanoate (PubChem CID 18433851) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethyl 4-cyclopentylpentanoate.

Molecular Properties

Compound Nameethyl 4-cyclopentylpentanoate
PubChem CID18433851
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethyl 4-cyclopentylpentanoate
SMILESCCOC(=O)CCC(C)C1CCCC1
InChIInChI=1S/C12H22O2/c1-3-14-12(13)9-8-10(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3
InChIKeyCLXAUJXWXFEYTQ-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclopentylpentanoate?
The IUPAC name of ethyl 4-cyclopentylpentanoate (CID 18433851) is ethyl 4-cyclopentylpentanoate.
What is the SMILES notation for ethyl 4-cyclopentylpentanoate?
The canonical SMILES for ethyl 4-cyclopentylpentanoate is CCOC(=O)CCC(C)C1CCCC1.
What is the InChIKey of ethyl 4-cyclopentylpentanoate?
The InChIKey is CLXAUJXWXFEYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-14-12(13)9-8-10(2)11-6-4-5-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 4-cyclopentylpentanoate?
ethyl 4-cyclopentylpentanoate has a molecular weight of 198.31 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclopentylpentanoate is sourced from PubChem (CID 18433851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).