(E)-3-ethenylnon-3-en-2-one

C11H18O — CID 24976667

IUPAC(E)-3-ethenylnon-3-en-2-one
SMILESC=C/C(=C\CCCCC)C(C)=O
InChIInChI=1S/C11H18O/c1-4-6-7-8-9-11(5-2)10(3)12/h5,9H,2,4,6-8H2,1,3H3/b11-9+
InChIKeyFJONCRUWVUOFIR-PKNBQFBNSA-N
MW166.26 g/mol
LogP3.27
Rot. Bonds6

About (E)-3-ethenylnon-3-en-2-one

(E)-3-ethenylnon-3-en-2-one (PubChem CID 24976667) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (E)-3-ethenylnon-3-en-2-one.

Molecular Properties

Compound Name(E)-3-ethenylnon-3-en-2-one
PubChem CID24976667
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(E)-3-ethenylnon-3-en-2-one
SMILESC=C/C(=C\CCCCC)C(C)=O
InChIInChI=1S/C11H18O/c1-4-6-7-8-9-11(5-2)10(3)12/h5,9H,2,4,6-8H2,1,3H3/b11-9+
InChIKeyFJONCRUWVUOFIR-PKNBQFBNSA-N
XLogP3.27
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 ≤ 53.27
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-methylnona-1,3-diene
CID 13382655
(Z)-3-methylnon-3-en-2-one
CID 98567788
(3Z)-3-methyldodeca-1,3-diene
CID 13382661
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
2-methylpentacos-2-enoic acid;prop-2-enoic acid
CID 158192542
[(3E)-icosa-1,3-dien-3-yl] acetate
CID 142750410
(E)-3-ethenyl-5-(methylamino)pent-3-en-2-one
CID 143379688
acetic acid;oct-1-ene
CID 159976970
4-heptylidene-2-methylpent-2-enedioic acid
CID 88683247
2-formyldec-2-enoic acid
CID 175590598
(Z)-3-(chloromethyl)undec-3-en-2-one
CID 10965961
(Z)-2-methylnon-2-enoic acid
CID 19098031

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenylnon-3-en-2-one?
The IUPAC name of (E)-3-ethenylnon-3-en-2-one (CID 24976667) is (E)-3-ethenylnon-3-en-2-one.
What is the SMILES notation for (E)-3-ethenylnon-3-en-2-one?
The canonical SMILES for (E)-3-ethenylnon-3-en-2-one is C=C/C(=C\CCCCC)C(C)=O.
What is the InChIKey of (E)-3-ethenylnon-3-en-2-one?
The InChIKey is FJONCRUWVUOFIR-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H18O/c1-4-6-7-8-9-11(5-2)10(3)12/h5,9H,2,4,6-8H2,1,3H3/b11-9+.
What are the key properties of (E)-3-ethenylnon-3-en-2-one?
(E)-3-ethenylnon-3-en-2-one has a molecular weight of 166.26 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenylnon-3-en-2-one is sourced from PubChem (CID 24976667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).