8-ethenoxy-2-methyloct-1-en-3-one

C11H18O2 — CID 147479142

IUPAC8-ethenoxy-2-methyloct-1-en-3-one
SMILESC=COCCCCCC(=O)C(=C)C
InChIInChI=1S/C11H18O2/c1-4-13-9-7-5-6-8-11(12)10(2)3/h4H,1-2,5-9H2,3H3
InChIKeyFDGWNGFLRNYWHZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds8

About 8-ethenoxy-2-methyloct-1-en-3-one

8-ethenoxy-2-methyloct-1-en-3-one (PubChem CID 147479142) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-ethenoxy-2-methyloct-1-en-3-one.

Molecular Properties

Compound Name8-ethenoxy-2-methyloct-1-en-3-one
PubChem CID147479142
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-ethenoxy-2-methyloct-1-en-3-one
SMILESC=COCCCCCC(=O)C(=C)C
InChIInChI=1S/C11H18O2/c1-4-13-9-7-5-6-8-11(12)10(2)3/h4H,1-2,5-9H2,3H3
InChIKeyFDGWNGFLRNYWHZ-UHFFFAOYSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
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'}

Analyze 8-ethenoxy-2-methyloct-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-1-oxacyclohexadec-2-en-4-one
CID 90000456
(2R)-2-heptyl-5-methyl-2,3-dihydropyran-4-one
CID 135075580
8-Methoxyoct-1-en-3-one
CID 20672825
6-Methoxy-2-methylhept-1-en-3-one
CID 21337066
8-Methoxy-3-methylideneoctan-2-one
CID 23393119
1,7-Dimethoxy-3,5-dimethylideneheptan-4-one
CID 54115998
1-Ethenoxy-4-methylideneoctane-3,6-dione
CID 57176176
33-Methoxy-3-methylidenetritriacontan-2-one
CID 57553319
33-Methoxy-2-methyltritriacont-1-en-3-one
CID 57553325
28-Methoxy-2-methyloctacos-1-en-3-one
CID 57957212
2-Methyl-8-propan-2-yloxyoct-1-en-3-one
CID 58298931
(7-Methyl-6-oxooct-7-enyl) 2-methylpropanoate
CID 58298942

Frequently Asked Questions

What is the IUPAC name of 8-ethenoxy-2-methyloct-1-en-3-one?
The IUPAC name of 8-ethenoxy-2-methyloct-1-en-3-one (CID 147479142) is 8-ethenoxy-2-methyloct-1-en-3-one.
What is the SMILES notation for 8-ethenoxy-2-methyloct-1-en-3-one?
The canonical SMILES for 8-ethenoxy-2-methyloct-1-en-3-one is C=COCCCCCC(=O)C(=C)C.
What is the InChIKey of 8-ethenoxy-2-methyloct-1-en-3-one?
The InChIKey is FDGWNGFLRNYWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-9-7-5-6-8-11(12)10(2)3/h4H,1-2,5-9H2,3H3.
What are the key properties of 8-ethenoxy-2-methyloct-1-en-3-one?
8-ethenoxy-2-methyloct-1-en-3-one has a molecular weight of 182.26 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxy-2-methyloct-1-en-3-one is sourced from PubChem (CID 147479142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).