1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene

C26H40O2 — CID 89245870

IUPAC1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
SMILESCOc1c(C)c(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c1OC
InChIInChI=1S/C26H40O2/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-24-21(5)22(6)25(27-8)26(28-9)23(24)7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+
InChIKeyVWOHCNMOTHRZBK-XHGFWWIISA-N
MW384.60 g/mol
LogP7.59
Rot. Bonds10

About 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene

1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (PubChem CID 89245870) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
PubChem CID89245870
Molecular FormulaC26H40O2
Molecular Weight384.60 g/mol
Exact Mass384.30
IUPAC Name1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
SMILESCOc1c(C)c(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c1OC
InChIInChI=1S/C26H40O2/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-24-21(5)22(6)25(27-8)26(28-9)23(24)7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+
InChIKeyVWOHCNMOTHRZBK-XHGFWWIISA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethoxy-5-methyl-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene-1,4-diol
CID 10992743
2-[(2Z,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 175646711
2-[(2E,6E,10E,14E,18Z,22Z)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 66563646
2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,4-diol
CID 85358878
5-(3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl)-3-methoxy-6-methylbenzene-1,2,4-triol
CID 25203764
2-[(2E,6Z,10E,14Z,18E,22E,26E,30E,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 163183422
magnesium;1,2,3,4-tetramethoxy-5-methyl-6-[(2E,6E,10E,14E,18E)-3,7,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaenyl]benzene;(6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene;chloride
CID 160515882
2-amino-3-methoxy-6-methyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]benzene-1,4-diol
CID 134160348
[4-butanoyloxy-5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-2,3-dimethoxy-6-methylphenyl] butanoate
CID 134474929
2,3-dimethoxy-5-methyl-6-[(2E,6Z,10E,14E)-3,7,11,15-tetramethyloctadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
CID 154815659
2-[(2E,6E)-3,7-dimethylnona-2,6-dienyl]-5,6-dimethoxy-3-methylbenzene-1,4-diol
CID 164890062
2-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methyl-5,6-bis(trideuteriomethoxy)benzene-1,4-diol
CID 11828976

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The IUPAC name of 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (CID 89245870) is 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The canonical SMILES for 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is COc1c(C)c(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(C)c1OC.
What is the InChIKey of 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The InChIKey is VWOHCNMOTHRZBK-XHGFWWIISA-N. The full InChI is InChI=1S/C26H40O2/c1-18(2)12-10-13-19(3)14-11-15-20(4)16-17-24-21(5)22(6)25(27-8)26(28-9)23(24)7/h12,14,16H,10-11,13,15,17H2,1-9H3/b19-14+,20-16+.
What are the key properties of 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene has a molecular weight of 384.60 g/mol, XLogP of 7.59, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3,4,6-trimethyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is sourced from PubChem (CID 89245870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).