(4-ethylcyclopenta-1,4-dien-1-yl) propanoate

C10H14O2 — CID 137231071

IUPAC(4-ethylcyclopenta-1,4-dien-1-yl) propanoate
SMILESCCC(=O)OC1=CCC(CC)=C1
InChIInChI=1S/C10H14O2/c1-3-8-5-6-9(7-8)12-10(11)4-2/h6-7H,3-5H2,1-2H3
InChIKeyRNVIPZIORCTEAI-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.56
Rot. Bonds3

About (4-ethylcyclopenta-1,4-dien-1-yl) propanoate

(4-ethylcyclopenta-1,4-dien-1-yl) propanoate (PubChem CID 137231071) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (4-ethylcyclopenta-1,4-dien-1-yl) propanoate.

Molecular Properties

Compound Name(4-ethylcyclopenta-1,4-dien-1-yl) propanoate
PubChem CID137231071
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(4-ethylcyclopenta-1,4-dien-1-yl) propanoate
SMILESCCC(=O)OC1=CCC(CC)=C1
InChIInChI=1S/C10H14O2/c1-3-8-5-6-9(7-8)12-10(11)4-2/h6-7H,3-5H2,1-2H3
InChIKeyRNVIPZIORCTEAI-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclopenta-1,4-dien-1-yl) propanoate?
The IUPAC name of (4-ethylcyclopenta-1,4-dien-1-yl) propanoate (CID 137231071) is (4-ethylcyclopenta-1,4-dien-1-yl) propanoate.
What is the SMILES notation for (4-ethylcyclopenta-1,4-dien-1-yl) propanoate?
The canonical SMILES for (4-ethylcyclopenta-1,4-dien-1-yl) propanoate is CCC(=O)OC1=CCC(CC)=C1.
What is the InChIKey of (4-ethylcyclopenta-1,4-dien-1-yl) propanoate?
The InChIKey is RNVIPZIORCTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-3-8-5-6-9(7-8)12-10(11)4-2/h6-7H,3-5H2,1-2H3.
What are the key properties of (4-ethylcyclopenta-1,4-dien-1-yl) propanoate?
(4-ethylcyclopenta-1,4-dien-1-yl) propanoate has a molecular weight of 166.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclopenta-1,4-dien-1-yl) propanoate is sourced from PubChem (CID 137231071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).