ethyl 2-ethenylidenepentanoate

C9H14O2 — CID 24746368

IUPACethyl 2-ethenylidenepentanoate
SMILESC=C=C(CCC)C(=O)OCC
InChIInChI=1S/C9H14O2/c1-4-7-8(5-2)9(10)11-6-3/h2,4,6-7H2,1,3H3
InChIKeyHUCBJLBYFDYLBK-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.06
Rot. Bonds4

About ethyl 2-ethenylidenepentanoate

ethyl 2-ethenylidenepentanoate (PubChem CID 24746368) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is ethyl 2-ethenylidenepentanoate.

Molecular Properties

Compound Nameethyl 2-ethenylidenepentanoate
PubChem CID24746368
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Nameethyl 2-ethenylidenepentanoate
SMILESC=C=C(CCC)C(=O)OCC
InChIInChI=1S/C9H14O2/c1-4-7-8(5-2)9(10)11-6-3/h2,4,6-7H2,1,3H3
InChIKeyHUCBJLBYFDYLBK-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenylidenepentanoate?
The IUPAC name of ethyl 2-ethenylidenepentanoate (CID 24746368) is ethyl 2-ethenylidenepentanoate.
What is the SMILES notation for ethyl 2-ethenylidenepentanoate?
The canonical SMILES for ethyl 2-ethenylidenepentanoate is C=C=C(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethenylidenepentanoate?
The InChIKey is HUCBJLBYFDYLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-7-8(5-2)9(10)11-6-3/h2,4,6-7H2,1,3H3.
What are the key properties of ethyl 2-ethenylidenepentanoate?
ethyl 2-ethenylidenepentanoate has a molecular weight of 154.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenylidenepentanoate is sourced from PubChem (CID 24746368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).