2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene

C19H28 — CID 102457415

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
SMILESCC(C)=CCC/C(C)=C/Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H28/c1-14(2)8-7-9-15(3)10-11-19-17(5)12-16(4)13-18(19)6/h8,10,12-13H,7,9,11H2,1-6H3/b15-10+
InChIKeyHSOCYQHHYWKPRI-XNTDXEJSSA-N
MW256.43 g/mol
LogP5.85
Rot. Bonds5

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene (PubChem CID 102457415) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
PubChem CID102457415
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
SMILESCC(C)=CCC/C(C)=C/Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H28/c1-14(2)8-7-9-15(3)10-11-19-17(5)12-16(4)13-18(19)6/h8,10,12-13H,7,9,11H2,1-6H3/b15-10+
InChIKeyHSOCYQHHYWKPRI-XNTDXEJSSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.85
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

2-(2,7-dimethylocta-2,6-dienyl)-1,3,5-trimethylbenzene
CID 173446962
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-5-pentylaniline
CID 146436192
1,3,5-trimethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 59672021
[3-acetyloxy-2,4-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-5-methylphenyl] acetate
CID 134238195
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
CID 59444407
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 101222163
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
2-methyl-3-[(2E,6Z,10Z,14E,18E,22E,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 172914185
2-methyl-3-[(2E,6E,10Z,14E,18Z,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-diol
CID 163201273
2-[(2E,6E,10E,14E,18E,22Z,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]-3-methylnaphthalene-1,4-diol
CID 175684261
2-methyl-3-[(2E,6E,10Z,14Z,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 134823864
2-methyl-3-[(2Z,6Z,10Z,14E,18E,22E,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 156599551

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene (CID 102457415) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene is CC(C)=CCC/C(C)=C/Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene?
The InChIKey is HSOCYQHHYWKPRI-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H28/c1-14(2)8-7-9-15(3)10-11-19-17(5)12-16(4)13-18(19)6/h8,10,12-13H,7,9,11H2,1-6H3/b15-10+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene has a molecular weight of 256.43 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 102457415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).