(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one

C16H24N2O — CID 135570572

IUPAC(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)C=[N+]=[N-]
InChIInChI=1S/C16H24N2O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16(19)12-18-17/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+
InChIKeyDCTHWPOVMWIGPB-YFVJMOTDSA-N
MW260.38 g/mol
LogP4.28
Rot. Bonds8

About (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one

(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one (PubChem CID 135570572) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one.

Molecular Properties

Compound Name(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one
PubChem CID135570572
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)C=[N+]=[N-]
InChIInChI=1S/C16H24N2O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16(19)12-18-17/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+
InChIKeyDCTHWPOVMWIGPB-YFVJMOTDSA-N
XLogP4.28
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-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

(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoic acid
CID 5275521
3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
CID 57199796
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(2E,6E)-6-methyl-2-(4-methylpent-3-enyl)-10-oxoundeca-2,6-dienoic acid
CID 16655283
7,11-dimethyldodeca-3,6,10-trien-5-one
CID 54142162
(9E)-10,14-dimethylpentadeca-9,13-dien-5-yn-2-one
CID 10060501

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one?
The IUPAC name of (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one (CID 135570572) is (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one.
What is the SMILES notation for (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one?
The canonical SMILES for (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one is CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)C=[N+]=[N-].
What is the InChIKey of (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one?
The InChIKey is DCTHWPOVMWIGPB-YFVJMOTDSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-16(19)12-18-17/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+.
What are the key properties of (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one?
(1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one has a molecular weight of 260.38 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,7E)-1-diazo-4,8,12-trimethyltrideca-3,7,11-trien-2-one is sourced from PubChem (CID 135570572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).