(3E,5E,7E)-trideca-3,5,7-trien-2-one

C13H20O — CID 118922947

IUPAC(3E,5E,7E)-trideca-3,5,7-trien-2-one
SMILESCCCCC/C=C/C=C/C=C/C(C)=O
InChIInChI=1S/C13H20O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h7-12H,3-6H2,1-2H3/b8-7+,10-9+,12-11+
InChIKeyXWONCSCLIGNIJF-SNUJAXHWSA-N
MW192.30 g/mol
LogP3.82
Rot. Bonds7

About (3E,5E,7E)-trideca-3,5,7-trien-2-one

(3E,5E,7E)-trideca-3,5,7-trien-2-one (PubChem CID 118922947) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3E,5E,7E)-trideca-3,5,7-trien-2-one.

Molecular Properties

Compound Name(3E,5E,7E)-trideca-3,5,7-trien-2-one
PubChem CID118922947
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3E,5E,7E)-trideca-3,5,7-trien-2-one
SMILESCCCCC/C=C/C=C/C=C/C(C)=O
InChIInChI=1S/C13H20O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h7-12H,3-6H2,1-2H3/b8-7+,10-9+,12-11+
InChIKeyXWONCSCLIGNIJF-SNUJAXHWSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.82
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'}

Analyze (3E,5E,7E)-trideca-3,5,7-trien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tricosa-3,5,7,9,11,13-hexaen-2-one
CID 123320913
(3E,5E,7E)-heptadeca-3,5,7-trien-2-one
CID 167627017
pentadeca-3,5,7-trien-2-one
CID 91106763
(2E,4Z,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoic acid
CID 122651989
(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-trideca-3,5,7-trien-2-one?
The IUPAC name of (3E,5E,7E)-trideca-3,5,7-trien-2-one (CID 118922947) is (3E,5E,7E)-trideca-3,5,7-trien-2-one.
What is the SMILES notation for (3E,5E,7E)-trideca-3,5,7-trien-2-one?
The canonical SMILES for (3E,5E,7E)-trideca-3,5,7-trien-2-one is CCCCC/C=C/C=C/C=C/C(C)=O.
What is the InChIKey of (3E,5E,7E)-trideca-3,5,7-trien-2-one?
The InChIKey is XWONCSCLIGNIJF-SNUJAXHWSA-N. The full InChI is InChI=1S/C13H20O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h7-12H,3-6H2,1-2H3/b8-7+,10-9+,12-11+.
What are the key properties of (3E,5E,7E)-trideca-3,5,7-trien-2-one?
(3E,5E,7E)-trideca-3,5,7-trien-2-one has a molecular weight of 192.30 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-trideca-3,5,7-trien-2-one is sourced from PubChem (CID 118922947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).