trideca-5,7,10,12-tetraen-2-one

C13H18O — CID 175909143

IUPACtrideca-5,7,10,12-tetraen-2-one
SMILESC=CC=CCC=CC=CCCC(C)=O
InChIInChI=1S/C13H18O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-5,7-10H,1,6,11-12H2,2H3
InChIKeyRQDNVGXFLNSCOX-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.60
Rot. Bonds7

About trideca-5,7,10,12-tetraen-2-one

trideca-5,7,10,12-tetraen-2-one (PubChem CID 175909143) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trideca-5,7,10,12-tetraen-2-one.

Molecular Properties

Compound Nametrideca-5,7,10,12-tetraen-2-one
PubChem CID175909143
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrideca-5,7,10,12-tetraen-2-one
SMILESC=CC=CCC=CC=CCCC(C)=O
InChIInChI=1S/C13H18O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-5,7-10H,1,6,11-12H2,2H3
InChIKeyRQDNVGXFLNSCOX-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E,9E,12E)-pentadeca-6,9,12,14-tetraen-2-one
CID 22957036
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411
6-oxohept-2-enal
CID 57259374
methyl hepta-4,6-dienoate
CID 53405107
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
undeca-8,10-diene-3,5-dione
CID 175508843
(3E,6E,10E)-dodeca-1,3,6,10-tetraene
CID 22236753
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
dodeca-2,7,9,11-tetraen-4-one
CID 168893799
N-hexa-3,5-dienylacetamide
CID 59663062
(5Z,8Z,12Z,14Z,17Z,19E)-11,21-dihydroxytricosa-5,8,12,14,17,19-hexaen-2-one
CID 87067085
tetradeca-1,3-dien-7-one
CID 140791016

Frequently Asked Questions

What is the IUPAC name of trideca-5,7,10,12-tetraen-2-one?
The IUPAC name of trideca-5,7,10,12-tetraen-2-one (CID 175909143) is trideca-5,7,10,12-tetraen-2-one.
What is the SMILES notation for trideca-5,7,10,12-tetraen-2-one?
The canonical SMILES for trideca-5,7,10,12-tetraen-2-one is C=CC=CCC=CC=CCCC(C)=O.
What is the InChIKey of trideca-5,7,10,12-tetraen-2-one?
The InChIKey is RQDNVGXFLNSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-5,7-10H,1,6,11-12H2,2H3.
What are the key properties of trideca-5,7,10,12-tetraen-2-one?
trideca-5,7,10,12-tetraen-2-one has a molecular weight of 190.29 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-5,7,10,12-tetraen-2-one is sourced from PubChem (CID 175909143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).