1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene

C18H28 — CID 83928771

IUPAC1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28/c1-6-8-9-10-15(7-2)16-11-13-17(14-12-16)18(3,4)5/h8-9,11-15H,6-7,10H2,1-5H3/b9-8-
InChIKeyXUKQISDQTHSERV-HJWRWDBZSA-N
MW244.42 g/mol
LogP5.83
Rot. Bonds5

About 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene

1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene (PubChem CID 83928771) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene.

Molecular Properties

Compound Name1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
PubChem CID83928771
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene
SMILESCC/C=C\CC(CC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28/c1-6-8-9-10-15(7-2)16-11-13-17(14-12-16)18(3,4)5/h8-9,11-15H,6-7,10H2,1-5H3/b9-8-
InChIKeyXUKQISDQTHSERV-HJWRWDBZSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
1-ethylsulfonyl-4-[(Z)-oct-5-en-3-yl]benzene
CID 83927236
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
6-[(Z)-oct-5-en-3-yl]-2,3-dihydro-1,4-benzodioxine
CID 83922168
4-[(Z)-non-6-en-4-yl]aniline
CID 112718062
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-methylsulfonyl-4-[(Z)-non-6-en-4-yl]benzene
CID 83926368
4-tert-butyl-2-[(Z)-hept-5-en-3-yl]-1-methylbenzene
CID 83935390
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
CID 63426874
1-(1-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63440017
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288
(E)-5-phenylhept-2-enal
CID 122379804

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene?
The IUPAC name of 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene (CID 83928771) is 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene.
What is the SMILES notation for 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene?
The canonical SMILES for 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene is CC/C=C\CC(CC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene?
The InChIKey is XUKQISDQTHSERV-HJWRWDBZSA-N. The full InChI is InChI=1S/C18H28/c1-6-8-9-10-15(7-2)16-11-13-17(14-12-16)18(3,4)5/h8-9,11-15H,6-7,10H2,1-5H3/b9-8-.
What are the key properties of 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene?
1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene has a molecular weight of 244.42 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(Z)-oct-5-en-3-yl]benzene is sourced from PubChem (CID 83928771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).