2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene

C21H36 — CID 59973496

IUPAC2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene
SMILESCC(C)=C(C)CC(C)=C(C)CC(C)=C(C)CC(C)=C(C)C
InChIInChI=1S/C21H36/c1-14(2)16(5)11-18(7)20(9)13-21(10)19(8)12-17(6)15(3)4/h11-13H2,1-10H3
InChIKeyDMFLKWYJMWDCAV-UHFFFAOYSA-N
MW288.52 g/mol
LogP7.54
Rot. Bonds6

About 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene

2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene (PubChem CID 59973496) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene.

Molecular Properties

Compound Name2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene
PubChem CID59973496
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene
SMILESCC(C)=C(C)CC(C)=C(C)CC(C)=C(C)CC(C)=C(C)C
InChIInChI=1S/C21H36/c1-14(2)16(5)11-18(7)20(9)13-21(10)19(8)12-17(6)15(3)4/h11-13H2,1-10H3
InChIKeyDMFLKWYJMWDCAV-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Squalene
CID 638072
(6Z,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 11975273
2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 1105
Lycopersene
CID 5365816
2,3-Dimethyl-2-hexene
CID 23528
(6Z,10E,14Z,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 25244109
3,4-Diethyl-3-hexene
CID 136668
2-Heptene, 2,3-dimethyl-
CID 137816
3-Ethyl-2-methyl-2-pentene
CID 140592
10-Demethylsqualene
CID 5352455
Digeranyl
CID 10378654
Geran-8-YL geran
CID 446073

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene?
The IUPAC name of 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene (CID 59973496) is 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene.
What is the SMILES notation for 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene?
The canonical SMILES for 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene is CC(C)=C(C)CC(C)=C(C)CC(C)=C(C)CC(C)=C(C)C.
What is the InChIKey of 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene?
The InChIKey is DMFLKWYJMWDCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-14(2)16(5)11-18(7)20(9)13-21(10)19(8)12-17(6)15(3)4/h11-13H2,1-10H3.
What are the key properties of 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene?
2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene has a molecular weight of 288.52 g/mol, XLogP of 7.54, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,8,9,11,12-octamethyltrideca-2,5,8,11-tetraene is sourced from PubChem (CID 59973496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).