[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene

C19H24 — CID 53467222

IUPAC[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene
SMILESC/C=C/C(C)=C=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H24/c1-3-10-16(2)15-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h3-4,6-7,10-12,18H,5,8-9,13-14H2,1-2H3/b10-3+
InChIKeyGJHFYCKWXMCPPE-XCVCLJGOSA-N
MW252.40 g/mol
LogP5.77
Rot. Bonds3

About [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene

[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene (PubChem CID 53467222) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene.

Molecular Properties

Compound Name[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene
PubChem CID53467222
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene
SMILESC/C=C/C(C)=C=C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H24/c1-3-10-16(2)15-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h3-4,6-7,10-12,18H,5,8-9,13-14H2,1-2H3/b10-3+
InChIKeyGJHFYCKWXMCPPE-XCVCLJGOSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1-cyclopropyl-3-methyl-5-phenylpenta-1,2-dienyl)benzene
CID 132598196
[(2E,4Z)-5-cyclohexylhexa-2,4-dien-2-yl]benzene
CID 177407839
N-[tert-butyl(dimethyl)silyl]-2-cyclopentyl-2-phenylethenimine
CID 11277974
[cyclohexyl(phenyl)methylidene]hafnium(2+)
CID 159740284
cyclopentyl(phenyl)methanethione
CID 91757146
[[cyclohexyl(phenyl)methylidene]amino]-trimethylazanium iodide
CID 74219724
1-cyclohexylpenta-1,3-dienylcyclohexane;phenol
CID 163535373
[(E)-4-cyclohexylpent-3-enyl]benzene
CID 14982517
1-methoxy-2-[(5E)-4-methylhepta-2,3,5-trien-2-yl]benzene
CID 53467214
[(4E)-3-methylhexa-1,2,4-trienyl]benzene
CID 53467438
cyclohexyl(phenyl)methanone;molecular hydrogen
CID 143135360
methyl (E)-2-cyclohexyl-3-phenylbut-2-enoate
CID 11230667

Frequently Asked Questions

What is the IUPAC name of [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene?
The IUPAC name of [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene (CID 53467222) is [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene.
What is the SMILES notation for [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene?
The canonical SMILES for [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene is C/C=C/C(C)=C=C(c1ccccc1)C1CCCCC1.
What is the InChIKey of [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene?
The InChIKey is GJHFYCKWXMCPPE-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H24/c1-3-10-16(2)15-19(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h3-4,6-7,10-12,18H,5,8-9,13-14H2,1-2H3/b10-3+.
What are the key properties of [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene?
[(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene has a molecular weight of 252.40 g/mol, XLogP of 5.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E)-1-cyclohexyl-3-methylhexa-1,2,4-trienyl]benzene is sourced from PubChem (CID 53467222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).