3-ethenylidenenonan-2-one

C11H18O — CID 12616865

IUPAC3-ethenylidenenonan-2-one
SMILESC=C=C(CCCCCC)C(C)=O
InChIInChI=1S/C11H18O/c1-4-6-7-8-9-11(5-2)10(3)12/h2,4,6-9H2,1,3H3
InChIKeyYVDSYYYQLQKOSL-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.26
Rot. Bonds6

About 3-ethenylidenenonan-2-one

3-ethenylidenenonan-2-one (PubChem CID 12616865) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-ethenylidenenonan-2-one.

Molecular Properties

Compound Name3-ethenylidenenonan-2-one
PubChem CID12616865
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-ethenylidenenonan-2-one
SMILESC=C=C(CCCCCC)C(C)=O
InChIInChI=1S/C11H18O/c1-4-6-7-8-9-11(5-2)10(3)12/h2,4,6-9H2,1,3H3
InChIKeyYVDSYYYQLQKOSL-UHFFFAOYSA-N
XLogP3.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydrojasmone
CID 62378
2-Pentyl-1-buten-3-one
CID 62218
Non-1-en-3-one
CID 181106
1-Decen-3-one
CID 171530
1-Undecen-3-one
CID 162529
6-Methyl-6-hepten-2-one
CID 151509
2-Methyltridec-2-en-4-one
CID 86107504
2-Nonanone, 3-methylene-
CID 3017847
Cyclopentadecanone, 3-methylene-
CID 14609951
1-Tetradecen-3-one
CID 10013364
1-Dodecen-3-one
CID 12804418
1-Hexadecen-3-one
CID 13310112

Frequently Asked Questions

What is the IUPAC name of 3-ethenylidenenonan-2-one?
The IUPAC name of 3-ethenylidenenonan-2-one (CID 12616865) is 3-ethenylidenenonan-2-one.
What is the SMILES notation for 3-ethenylidenenonan-2-one?
The canonical SMILES for 3-ethenylidenenonan-2-one is C=C=C(CCCCCC)C(C)=O.
What is the InChIKey of 3-ethenylidenenonan-2-one?
The InChIKey is YVDSYYYQLQKOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-7-8-9-11(5-2)10(3)12/h2,4,6-9H2,1,3H3.
What are the key properties of 3-ethenylidenenonan-2-one?
3-ethenylidenenonan-2-one has a molecular weight of 166.26 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidenenonan-2-one is sourced from PubChem (CID 12616865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).