4-prop-2-enoxypent-3-en-2-one

C8H12O2 — CID 71367685

IUPAC4-prop-2-enoxypent-3-en-2-one
SMILESC=CCOC(C)=CC(C)=O
InChIInChI=1S/C8H12O2/c1-4-5-10-8(3)6-7(2)9/h4,6H,1,5H2,2-3H3
InChIKeyFKZWHGVDJDAMKQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds4

About 4-prop-2-enoxypent-3-en-2-one

4-prop-2-enoxypent-3-en-2-one (PubChem CID 71367685) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-prop-2-enoxypent-3-en-2-one.

Molecular Properties

Compound Name4-prop-2-enoxypent-3-en-2-one
PubChem CID71367685
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-prop-2-enoxypent-3-en-2-one
SMILESC=CCOC(C)=CC(C)=O
InChIInChI=1S/C8H12O2/c1-4-5-10-8(3)6-7(2)9/h4,6H,1,5H2,2-3H3
InChIKeyFKZWHGVDJDAMKQ-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 4-prop-2-enoxypent-3-en-2-one?
The IUPAC name of 4-prop-2-enoxypent-3-en-2-one (CID 71367685) is 4-prop-2-enoxypent-3-en-2-one.
What is the SMILES notation for 4-prop-2-enoxypent-3-en-2-one?
The canonical SMILES for 4-prop-2-enoxypent-3-en-2-one is C=CCOC(C)=CC(C)=O.
What is the InChIKey of 4-prop-2-enoxypent-3-en-2-one?
The InChIKey is FKZWHGVDJDAMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-5-10-8(3)6-7(2)9/h4,6H,1,5H2,2-3H3.
What are the key properties of 4-prop-2-enoxypent-3-en-2-one?
4-prop-2-enoxypent-3-en-2-one has a molecular weight of 140.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxypent-3-en-2-one is sourced from PubChem (CID 71367685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).