4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene

C18H28 — CID 83927610

IUPAC4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
SMILESC/C=C\CC(C)c1cc(C(C)(C)C)ccc1CC
InChIInChI=1S/C18H28/c1-7-9-10-14(3)17-13-16(18(4,5)6)12-11-15(17)8-2/h7,9,11-14H,8,10H2,1-6H3/b9-7-
InChIKeyKJUUEGXCMBUBJY-CLFYSBASSA-N
MW244.42 g/mol
LogP5.62
Rot. Bonds4

About 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene

4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene (PubChem CID 83927610) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
PubChem CID83927610
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene
SMILESC/C=C\CC(C)c1cc(C(C)(C)C)ccc1CC
InChIInChI=1S/C18H28/c1-7-9-10-14(3)17-13-16(18(4,5)6)12-11-15(17)8-2/h7,9,11-14H,8,10H2,1-6H3/b9-7-
InChIKeyKJUUEGXCMBUBJY-CLFYSBASSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.62
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

2-(4-bromobutan-2-yl)-4-tert-butyl-1-ethylbenzene
CID 83927529
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]-3-ethyloxirane
CID 83927621
2-[2-(5-tert-butyl-2-ethylphenyl)propyl]propane-1,3-diamine
CID 83927537
6-(5-tert-butyl-2-ethylphenyl)heptane-3,4-diol
CID 83927642
4-tert-butyl-2-[(Z)-hept-5-en-3-yl]-1-methylbenzene
CID 83935390
3-(5-tert-butyl-2-ethylphenyl)-3-(dimethylamino)-2-methylpropan-1-ol
CID 83927558
4-tert-butyl-1-ethyl-2-hex-5-yn-3-ylbenzene
CID 83927601
1-[(E)-hex-4-en-2-yl]-2-propylbenzene
CID 145391504
3-(5-tert-butyl-2-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83927557
4-tert-butyl-1-ethenyl-2-pentan-2-ylbenzene
CID 144814038
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
2-[(Z)-hex-4-en-2-yl]-1,4-dimethoxybenzene
CID 83938264

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene?
The IUPAC name of 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene (CID 83927610) is 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene.
What is the SMILES notation for 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene?
The canonical SMILES for 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene is C/C=C\CC(C)c1cc(C(C)(C)C)ccc1CC.
What is the InChIKey of 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene?
The InChIKey is KJUUEGXCMBUBJY-CLFYSBASSA-N. The full InChI is InChI=1S/C18H28/c1-7-9-10-14(3)17-13-16(18(4,5)6)12-11-15(17)8-2/h7,9,11-14H,8,10H2,1-6H3/b9-7-.
What are the key properties of 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene?
4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene has a molecular weight of 244.42 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-2-[(Z)-hex-4-en-2-yl]benzene is sourced from PubChem (CID 83927610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).