tridec-2-en-4-one

C13H24O — CID 3025768

IUPACtridec-2-en-4-one
SMILESCC=CC(=O)CCCCCCCCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,11H,3,5-10,12H2,1-2H3
InChIKeyJUQCMHBQRHFGNC-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.27
Rot. Bonds9

About tridec-2-en-4-one

tridec-2-en-4-one (PubChem CID 3025768) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is tridec-2-en-4-one.

Molecular Properties

Compound Nametridec-2-en-4-one
PubChem CID3025768
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nametridec-2-en-4-one
SMILESCC=CC(=O)CCCCCCCCC
InChIInChI=1S/C13H24O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,11H,3,5-10,12H2,1-2H3
InChIKeyJUQCMHBQRHFGNC-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.27
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'}

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Related Compounds

(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
nonadeca-2,12-dien-4-one
CID 151605854
dodeca-2,4-dien-6-one
CID 71412707
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
octadeca-2,4,6-trien-8-one
CID 154172928
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-tridec-3-ene-2,5-dione
CID 12564114
(E)-1-chloronon-1-en-3-one
CID 12585287
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163

Frequently Asked Questions

What is the IUPAC name of tridec-2-en-4-one?
The IUPAC name of tridec-2-en-4-one (CID 3025768) is tridec-2-en-4-one.
What is the SMILES notation for tridec-2-en-4-one?
The canonical SMILES for tridec-2-en-4-one is CC=CC(=O)CCCCCCCCC.
What is the InChIKey of tridec-2-en-4-one?
The InChIKey is JUQCMHBQRHFGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,11H,3,5-10,12H2,1-2H3.
What are the key properties of tridec-2-en-4-one?
tridec-2-en-4-one has a molecular weight of 196.33 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-2-en-4-one is sourced from PubChem (CID 3025768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).