(3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one

C158H294O9 — CID 167608077

IUPAC(3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one
SMILESC.C/C=C\C/C=C\C/C=C\CC(=O)C(C)C.CC(=O)CCCC(C)C.CC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(C)C.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)C(C)C.CCCCCCCC(=O)C(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.CCCCCCCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C21H40O.2C21H36O.C19H38O.2C15H30O.C14H22O.C12H20.C11H22O.C8H16O.CH4/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)20(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-14(15)13(2)3;1-3-5-7-9-11-12-10-8-6-4-2;1-4-5-6-7-8-9-11(12)10(2)3;1-7(2)5-4-6-8(3)9;/h11-12,20H,4-10,13-19H2,1-3H3;8-9,11-12,14-15,20H,4-7,10,13,16-19H2,1-3H3;5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3;18H,4-17H2,1-3H3;2*14H,4-13H2,1-3H3;4-5,7-8,10-11,13H,6,9,12H2,1-3H3;5-8,11-12H,3-4,9-10H2,1-2H3;10H,4-9H2,1-3H3;7H,4-6H2,1-3H3;1H4/b12-11-;9-8-,12-11-,15-14-;6-5-,9-8-,12-11-;;;;5-4-,8-7-,11-10-;7-5-,8-6-,12-11-;;;
InChIKeyKQTGQXTXLYZANQ-RQFULRFXSA-N
MW2338.08 g/mol
LogP52.74
Rot. Bonds105

About (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one

(3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one (PubChem CID 167608077) has the molecular formula C158H294O9 and a molecular weight of 2338.08 g/mol. Its IUPAC name is (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one.

Molecular Properties

Compound Name(3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one
PubChem CID167608077
Molecular FormulaC158H294O9
Molecular Weight2338.08 g/mol
Exact Mass2336.25
IUPAC Name(3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one
SMILESC.C/C=C\C/C=C\C/C=C\CC(=O)C(C)C.CC(=O)CCCC(C)C.CC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(C)C.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)C(C)C.CCCCCCCC(=O)C(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.CCCCCCCCCCCCCCCC(=O)C(C)C
InChIInChI=1S/C21H40O.2C21H36O.C19H38O.2C15H30O.C14H22O.C12H20.C11H22O.C8H16O.CH4/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)20(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-14(15)13(2)3;1-3-5-7-9-11-12-10-8-6-4-2;1-4-5-6-7-8-9-11(12)10(2)3;1-7(2)5-4-6-8(3)9;/h11-12,20H,4-10,13-19H2,1-3H3;8-9,11-12,14-15,20H,4-7,10,13,16-19H2,1-3H3;5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3;18H,4-17H2,1-3H3;2*14H,4-13H2,1-3H3;4-5,7-8,10-11,13H,6,9,12H2,1-3H3;5-8,11-12H,3-4,9-10H2,1-2H3;10H,4-9H2,1-3H3;7H,4-6H2,1-3H3;1H4/b12-11-;9-8-,12-11-,15-14-;6-5-,9-8-,12-11-;;;;5-4-,8-7-,11-10-;7-5-,8-6-,12-11-;;;
InChIKeyKQTGQXTXLYZANQ-RQFULRFXSA-N
XLogP52.74
TPSA153.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds105
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002338.08
LogP ≤ 552.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-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

6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyltetradecan-3-one
CID 164990507
2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one)
CID 164963890
(10E,13E)-nonadeca-10,13-dien-2-one
CID 10333807
(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraen-2-one
CID 87555668
(7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-7,10,13,16,19-pentaen-3-one;(6Z,9Z,12Z,15Z,18Z,21Z)-2-methyltetracosa-6,9,12,15,18,21-hexaen-3-one
CID 159107554
(Z)-tricos-16-en-2-one
CID 134866400
(Z)-pentacos-16-en-2-one
CID 90307095
(E)-icos-10-en-2-one
CID 137410632
(Z)-heptadec-7-en-2-one
CID 90307080
henicos-9-en-2-one
CID 91100997
(E)-dotriacont-23-en-2-one
CID 5365248
tetratriacont-20-en-2-one
CID 56637991

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one?
The IUPAC name of (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one (CID 167608077) is (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one.
What is the SMILES notation for (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one?
The canonical SMILES for (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one is C.C/C=C\C/C=C\C/C=C\CC(=O)C(C)C.CC(=O)CCCC(C)C.CC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(C)C.CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)C(C)C.CCCCCCCC(=O)C(C)C.CCCCCCCC/C=C\CCCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.CCCCCCCCCCCC(=O)C(C)C.CCCCCCCCCCCCCCCC(=O)C(C)C.
What is the InChIKey of (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one?
The InChIKey is KQTGQXTXLYZANQ-RQFULRFXSA-N. The full InChI is InChI=1S/C21H40O.2C21H36O.C19H38O.2C15H30O.C14H22O.C12H20.C11H22O.C8H16O.CH4/c3*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)20(2)3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)18(2)3;2*1-4-5-6-7-8-9-10-11-12-13-15(16)14(2)3;1-4-5-6-7-8-9-10-11-12-14(15)13(2)3;1-3-5-7-9-11-12-10-8-6-4-2;1-4-5-6-7-8-9-11(12)10(2)3;1-7(2)5-4-6-8(3)9;/h11-12,20H,4-10,13-19H2,1-3H3;8-9,11-12,14-15,20H,4-7,10,13,16-19H2,1-3H3;5-6,8-9,11-12,20H,4,7,10,13-19H2,1-3H3;18H,4-17H2,1-3H3;2*14H,4-13H2,1-3H3;4-5,7-8,10-11,13H,6,9,12H2,1-3H3;5-8,11-12H,3-4,9-10H2,1-2H3;10H,4-9H2,1-3H3;7H,4-6H2,1-3H3;1H4/b12-11-;9-8-,12-11-,15-14-;6-5-,9-8-,12-11-;;;;5-4-,8-7-,11-10-;7-5-,8-6-,12-11-;;;.
What are the key properties of (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one?
(3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one has a molecular weight of 2338.08 g/mol, XLogP of 52.74, 105 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,9Z)-dodeca-3,6,9-triene;methane;2-methyldecan-3-one;6-methylheptan-2-one;(8Z,11Z,14Z)-2-methylicosa-8,11,14-trien-3-one;(11Z,14Z,17Z)-2-methylicosa-11,14,17-trien-3-one;(Z)-2-methylicos-11-en-3-one;2-methyloctadecan-3-one;bis(2-methyltetradecan-3-one);(5Z,8Z,11Z)-2-methyltrideca-5,8,11-trien-3-one is sourced from PubChem (CID 167608077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).