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

C24H36O2 — CID 10808214

IUPAC1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
SMILESCOc1cc(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c1
InChIInChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)16-22(25-6)17-24(23)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKeyCDVBDSFNLFHWSH-LCAIAVFMSA-N
MW356.55 g/mol
LogP6.97
Rot. Bonds10

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

1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (PubChem CID 10808214) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.

Molecular Properties

Compound Name1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
PubChem CID10808214
Molecular FormulaC24H36O2
Molecular Weight356.55 g/mol
Exact Mass356.27
IUPAC Name1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
SMILESCOc1cc(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c1
InChIInChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)16-22(25-6)17-24(23)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+
InChIKeyCDVBDSFNLFHWSH-LCAIAVFMSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The IUPAC name of 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene (CID 10808214) is 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene.
What is the SMILES notation for 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The canonical SMILES for 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is COc1cc(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c1.
What is the InChIKey of 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
The InChIKey is CDVBDSFNLFHWSH-LCAIAVFMSA-N. The full InChI is InChI=1S/C24H36O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)14-15-23-21(5)16-22(25-6)17-24(23)26-7/h10,12,14,16-17H,8-9,11,13,15H2,1-7H3/b19-12+,20-14+.
What are the key properties of 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene?
1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene has a molecular weight of 356.55 g/mol, XLogP of 6.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene is sourced from PubChem (CID 10808214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).