1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene

C18H24 — CID 149146879

IUPAC1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
SMILESC=C(/C=C(C)\C(C)=C/C)c1cc(C)cc(C)c1C
InChIInChI=1S/C18H24/c1-8-13(3)14(4)11-16(6)18-10-12(2)9-15(5)17(18)7/h8-11H,6H2,1-5,7H3/b13-8-,14-11-
InChIKeyRKQNROAXLFSRIL-IPLJFLPMSA-N
MW240.39 g/mol
LogP5.54
Rot. Bonds3

About 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene

1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene (PubChem CID 149146879) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
PubChem CID149146879
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene
SMILESC=C(/C=C(C)\C(C)=C/C)c1cc(C)cc(C)c1C
InChIInChI=1S/C18H24/c1-8-13(3)14(4)11-16(6)18-10-12(2)9-15(5)17(18)7/h8-11H,6H2,1-5,7H3/b13-8-,14-11-
InChIKeyRKQNROAXLFSRIL-IPLJFLPMSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene?
The IUPAC name of 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene (CID 149146879) is 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene.
What is the SMILES notation for 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene?
The canonical SMILES for 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene is C=C(/C=C(C)\C(C)=C/C)c1cc(C)cc(C)c1C.
What is the InChIKey of 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene?
The InChIKey is RKQNROAXLFSRIL-IPLJFLPMSA-N. The full InChI is InChI=1S/C18H24/c1-8-13(3)14(4)11-16(6)18-10-12(2)9-15(5)17(18)7/h8-11H,6H2,1-5,7H3/b13-8-,14-11-.
What are the key properties of 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene?
1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2,3,5-trimethylbenzene is sourced from PubChem (CID 149146879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).