1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene

C18H24 — CID 123714774

IUPAC1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene
SMILESC=C(C)C(C=Cc1ccc(C(C)C)cc1)=C(C)C
InChIInChI=1S/C18H24/c1-13(2)17-10-7-16(8-11-17)9-12-18(14(3)4)15(5)6/h7-13H,3H2,1-2,4-6H3
InChIKeyAGXQIAFJIPZHCW-UHFFFAOYSA-N
MW240.39 g/mol
LogP5.74
Rot. Bonds4

About 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene

1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene (PubChem CID 123714774) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene
PubChem CID123714774
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene
SMILESC=C(C)C(C=Cc1ccc(C(C)C)cc1)=C(C)C
InChIInChI=1S/C18H24/c1-13(2)17-10-7-16(8-11-17)9-12-18(14(3)4)15(5)6/h7-13H,3H2,1-2,4-6H3
InChIKeyAGXQIAFJIPZHCW-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.74
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

ethane;(E)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 142207666
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]acetic acid
CID 43239068
1-(6-methylhepta-1,3,5-trienyl)-4-propan-2-ylbenzene
CID 123372314
(E)-1-(4-hydroxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 6144622
(4-acetylphenyl) (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19181737
N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]acetamide
CID 91823894
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
(E)-N,N-bis(2-methylpropyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6140170
N,N-bis(4-propan-2-ylphenyl)-4-[(E)-2-[4-[(E)-2-[4-(4-propan-2-yl-N-(4-propan-2-ylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 22900193

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene (CID 123714774) is 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene is C=C(C)C(C=Cc1ccc(C(C)C)cc1)=C(C)C.
What is the InChIKey of 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene?
The InChIKey is AGXQIAFJIPZHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-13(2)17-10-7-16(8-11-17)9-12-18(14(3)4)15(5)6/h7-13H,3H2,1-2,4-6H3.
What are the key properties of 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene?
1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene has a molecular weight of 240.39 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-prop-1-en-2-ylpenta-1,3-dienyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 123714774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).