1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene

C24H36O — CID 59672021

IUPAC1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(C)cc(C)cc1C
InChIInChI=1S/C24H36O/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-24-22(6)16-21(5)17-23(24)7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKeyOPGSNYHPTDUCBQ-LCAIAVFMSA-N
MW340.55 g/mol
LogP7.41
Rot. Bonds9

About 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene

1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene (PubChem CID 59672021) has the molecular formula C24H36O and a molecular weight of 340.55 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
PubChem CID59672021
Molecular FormulaC24H36O
Molecular Weight340.55 g/mol
Exact Mass340.28
IUPAC Name1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(C)cc(C)cc1C
InChIInChI=1S/C24H36O/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-24-22(6)16-21(5)17-23(24)7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKeyOPGSNYHPTDUCBQ-LCAIAVFMSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene 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

1-[(2E,6E)-3,7-dimethyldeca-2,6-dienoxy]-3,5-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 162436832
4,6-dihydroxy-2-methyl-3-(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzaldehyde
CID 162977247
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
2,3,5,6-tetrafluoro-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzoic acid
CID 10765373
(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
2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
CID 173446962
1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]ethanone
CID 10859675
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
1-tert-butyl-4-[(2Z)-3,7-dimethylocta-2,6-dienoxy]benzene
CID 5383734

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene?
The IUPAC name of 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene (CID 59672021) is 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene?
The canonical SMILES for 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene is CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1c(C)cc(C)cc1C.
What is the InChIKey of 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene?
The InChIKey is OPGSNYHPTDUCBQ-LCAIAVFMSA-N. The full InChI is InChI=1S/C24H36O/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-25-24-22(6)16-21(5)17-23(24)7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+.
What are the key properties of 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene?
1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene has a molecular weight of 340.55 g/mol, XLogP of 7.41, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene is sourced from PubChem (CID 59672021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).