1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene

C17H24 — CID 142134872

IUPAC1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene
SMILESC/C=C\C=C/CCCc1ccccc1C(C)C
InChIInChI=1S/C17H24/c1-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15(2)3/h4-7,10-11,13-15H,8-9,12H2,1-3H3/b5-4-,7-6-
InChIKeyNXVKRAMGNGAYKB-RZSVFLSASA-N
MW228.38 g/mol
LogP5.26
Rot. Bonds6

About 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene

1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene (PubChem CID 142134872) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene
PubChem CID142134872
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene
SMILESC/C=C\C=C/CCCc1ccccc1C(C)C
InChIInChI=1S/C17H24/c1-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15(2)3/h4-7,10-11,13-15H,8-9,12H2,1-3H3/b5-4-,7-6-
InChIKeyNXVKRAMGNGAYKB-RZSVFLSASA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutyl)-2-propan-2-ylbenzene
CID 18417614
4-(2-propan-2-ylphenyl)butan-1-ol
CID 54569508
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
5-(2-propan-2-ylphenyl)pentanenitrile
CID 141013076
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
hepta-3,5-dienylbenzene
CID 54230830
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
CID 173166794
CID 173166794
1-(1,1-dideuterio-2-methylpropyl)-2-propan-2-ylbenzene
CID 167379247
[(1Z,7E,9Z)-undeca-1,7,9-trienyl]sulfonylbenzene
CID 134980499

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene?
The IUPAC name of 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene (CID 142134872) is 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene is C/C=C\C=C/CCCc1ccccc1C(C)C.
What is the InChIKey of 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene?
The InChIKey is NXVKRAMGNGAYKB-RZSVFLSASA-N. The full InChI is InChI=1S/C17H24/c1-4-5-6-7-8-9-12-16-13-10-11-14-17(16)15(2)3/h4-7,10-11,13-15H,8-9,12H2,1-3H3/b5-4-,7-6-.
What are the key properties of 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene?
1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene has a molecular weight of 228.38 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6Z)-octa-4,6-dienyl]-2-propan-2-ylbenzene is sourced from PubChem (CID 142134872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).