1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene

C18H24 — CID 143561828

IUPAC1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene
SMILESC=C/C=C\C(CCCC)=C(/C)c1ccccc1C
InChIInChI=1S/C18H24/c1-5-7-12-17(13-8-6-2)16(4)18-14-10-9-11-15(18)3/h5,7,9-12,14H,1,6,8,13H2,2-4H3/b12-7-,17-16-
InChIKeyPRGJGALJZQPMHZ-UEFKPRBPSA-N
MW240.39 g/mol
LogP5.70
Rot. Bonds6

About 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene

1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene (PubChem CID 143561828) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene
PubChem CID143561828
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene
SMILESC=C/C=C\C(CCCC)=C(/C)c1ccccc1C
InChIInChI=1S/C18H24/c1-5-7-12-17(13-8-6-2)16(4)18-14-10-9-11-15(18)3/h5,7,9-12,14H,1,6,8,13H2,2-4H3/b12-7-,17-16-
InChIKeyPRGJGALJZQPMHZ-UEFKPRBPSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.70
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-methyl-2-(2-methylhept-2-en-3-yl)benzene
CID 142356923
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
ethane;1-methyl-2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]benzene
CID 144536414
1-(2-methylphenyl)hexane-1,2-dione
CID 123909332
1-(3-decoxybut-2-en-2-yl)-2-methylbenzene
CID 150754471
1-(2-methylphenyl)dodecane-1,2-dione
CID 4661081
1-methyl-2-[(2E,4Z)-3-methylhexa-2,4-dien-2-yl]benzene
CID 142414325
1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
CID 145354359
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
ethane;1-methyl-2-[(E)-4-methyldodec-4-en-5-yl]benzene
CID 142516496

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene?
The IUPAC name of 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene (CID 143561828) is 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene is C=C/C=C\C(CCCC)=C(/C)c1ccccc1C.
What is the InChIKey of 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene?
The InChIKey is PRGJGALJZQPMHZ-UEFKPRBPSA-N. The full InChI is InChI=1S/C18H24/c1-5-7-12-17(13-8-6-2)16(4)18-14-10-9-11-15(18)3/h5,7,9-12,14H,1,6,8,13H2,2-4H3/b12-7-,17-16-.
What are the key properties of 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene?
1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-3-butylhepta-2,4,6-trien-2-yl]-2-methylbenzene is sourced from PubChem (CID 143561828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).