tridec-12-en-2-one

C13H24O — CID 10888854

IUPACtridec-12-en-2-one
SMILESC=CCCCCCCCCCC(C)=O
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3
InChIKeyUYCZPLKICNDOCL-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.27
Rot. Bonds10

About tridec-12-en-2-one

tridec-12-en-2-one (PubChem CID 10888854) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is tridec-12-en-2-one.

Molecular Properties

Compound Nametridec-12-en-2-one
PubChem CID10888854
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nametridec-12-en-2-one
SMILESC=CCCCCCCCCCC(C)=O
InChIInChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3
InChIKeyUYCZPLKICNDOCL-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Civetone
CID 5315941
9-Decen-2-one
CID 118782
8-Cyclohexadecen-1-one
CID 6365152
8-Nonen-2-one
CID 21108
(Z)-9-cycloheptadecen-1-one
CID 11334208
10-Undecen-2-one
CID 118928
5-Cyclohexadecen-1-one
CID 162268
(8Z)-cyclohexadec-8-en-1-one
CID 5362739
Cyclohexadec-8-en-1-one
CID 534634
2-Pentyl-1-buten-3-one
CID 62218
9-Cycloheptadecen-1-one
CID 10954
Non-1-en-3-one
CID 181106

Frequently Asked Questions

What is the IUPAC name of tridec-12-en-2-one?
The IUPAC name of tridec-12-en-2-one (CID 10888854) is tridec-12-en-2-one.
What is the SMILES notation for tridec-12-en-2-one?
The canonical SMILES for tridec-12-en-2-one is C=CCCCCCCCCCC(C)=O.
What is the InChIKey of tridec-12-en-2-one?
The InChIKey is UYCZPLKICNDOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3.
What are the key properties of tridec-12-en-2-one?
tridec-12-en-2-one has a molecular weight of 196.33 g/mol, XLogP of 4.27, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-12-en-2-one is sourced from PubChem (CID 10888854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).