ethyl pentanoate

C7H14O2 — CID 10882

IUPACethyl pentanoate
SMILESCCCCC(=O)OCC
InChIInChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChIKeyICMAFTSLXCXHRK-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.74
Rot. Bonds4

About ethyl pentanoate

ethyl pentanoate (PubChem CID 10882) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is ethyl pentanoate.

Molecular Properties

Compound Nameethyl pentanoate
PubChem CID10882
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Nameethyl pentanoate
SMILESCCCCC(=O)OCC
InChIInChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChIKeyICMAFTSLXCXHRK-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl pentanoate?
The IUPAC name of ethyl pentanoate (CID 10882) is ethyl pentanoate.
What is the SMILES notation for ethyl pentanoate?
The canonical SMILES for ethyl pentanoate is CCCCC(=O)OCC.
What is the InChIKey of ethyl pentanoate?
The InChIKey is ICMAFTSLXCXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl pentanoate?
ethyl pentanoate has a molecular weight of 130.19 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl pentanoate is sourced from PubChem (CID 10882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).