ethyl 2-ethenylidenepent-4-enoate

C9H12O2 — CID 11954602

IUPACethyl 2-ethenylidenepent-4-enoate
SMILESC=C=C(CC=C)C(=O)OCC
InChIInChI=1S/C9H12O2/c1-4-7-8(5-2)9(10)11-6-3/h4H,1-2,6-7H2,3H3
InChIKeyCHCJCUHXXXKSTC-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.84
Rot. Bonds4

About ethyl 2-ethenylidenepent-4-enoate

ethyl 2-ethenylidenepent-4-enoate (PubChem CID 11954602) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is ethyl 2-ethenylidenepent-4-enoate.

Molecular Properties

Compound Nameethyl 2-ethenylidenepent-4-enoate
PubChem CID11954602
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Nameethyl 2-ethenylidenepent-4-enoate
SMILESC=C=C(CC=C)C(=O)OCC
InChIInChI=1S/C9H12O2/c1-4-7-8(5-2)9(10)11-6-3/h4H,1-2,6-7H2,3H3
InChIKeyCHCJCUHXXXKSTC-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethenylidenepent-4-enoate?
The IUPAC name of ethyl 2-ethenylidenepent-4-enoate (CID 11954602) is ethyl 2-ethenylidenepent-4-enoate.
What is the SMILES notation for ethyl 2-ethenylidenepent-4-enoate?
The canonical SMILES for ethyl 2-ethenylidenepent-4-enoate is C=C=C(CC=C)C(=O)OCC.
What is the InChIKey of ethyl 2-ethenylidenepent-4-enoate?
The InChIKey is CHCJCUHXXXKSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-7-8(5-2)9(10)11-6-3/h4H,1-2,6-7H2,3H3.
What are the key properties of ethyl 2-ethenylidenepent-4-enoate?
ethyl 2-ethenylidenepent-4-enoate has a molecular weight of 152.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenylidenepent-4-enoate is sourced from PubChem (CID 11954602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).