5-ethenoxy-2-methylpent-1-en-3-one

C8H12O2 — CID 87129853

IUPAC5-ethenoxy-2-methylpent-1-en-3-one
SMILESC=COCCC(=O)C(=C)C
InChIInChI=1S/C8H12O2/c1-4-10-6-5-8(9)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyWXIPZUOMJFVLSG-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds5

About 5-ethenoxy-2-methylpent-1-en-3-one

5-ethenoxy-2-methylpent-1-en-3-one (PubChem CID 87129853) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-ethenoxy-2-methylpent-1-en-3-one.

Molecular Properties

Compound Name5-ethenoxy-2-methylpent-1-en-3-one
PubChem CID87129853
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-ethenoxy-2-methylpent-1-en-3-one
SMILESC=COCCC(=O)C(=C)C
InChIInChI=1S/C8H12O2/c1-4-10-6-5-8(9)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyWXIPZUOMJFVLSG-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-2-methylpent-1-en-3-one?
The IUPAC name of 5-ethenoxy-2-methylpent-1-en-3-one (CID 87129853) is 5-ethenoxy-2-methylpent-1-en-3-one.
What is the SMILES notation for 5-ethenoxy-2-methylpent-1-en-3-one?
The canonical SMILES for 5-ethenoxy-2-methylpent-1-en-3-one is C=COCCC(=O)C(=C)C.
What is the InChIKey of 5-ethenoxy-2-methylpent-1-en-3-one?
The InChIKey is WXIPZUOMJFVLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-10-6-5-8(9)7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of 5-ethenoxy-2-methylpent-1-en-3-one?
5-ethenoxy-2-methylpent-1-en-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-2-methylpent-1-en-3-one is sourced from PubChem (CID 87129853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).