[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene

C22H28 — CID 58843288

IUPAC[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
SMILESCCC(C/C=C\CCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28/c1-3-20(22-17-11-6-12-18-22)14-8-4-7-13-19(2)21-15-9-5-10-16-21/h4-6,8-12,15-20H,3,7,13-14H2,1-2H3/b8-4-
InChIKeyWRINTCWGYNFXRV-YWEYNIOJSA-N
MW292.47 g/mol
LogP6.71
Rot. Bonds8

About [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene

[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene (PubChem CID 58843288) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene.

Molecular Properties

Compound Name[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
PubChem CID58843288
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
SMILESCCC(C/C=C\CCC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28/c1-3-20(22-17-11-6-12-18-22)14-8-4-7-13-19(2)21-15-9-5-10-16-21/h4-6,8-12,15-20H,3,7,13-14H2,1-2H3/b8-4-
InChIKeyWRINTCWGYNFXRV-YWEYNIOJSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.71
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

(E)-2-ethyl-8-phenylnon-4-enenitrile;methane
CID 160671752
[(E)-hept-5-en-2-yl]benzene
CID 22172140
sodium 4-(4-carboxy-10-phenyldodec-7-en-2-yl)benzenesulfonate
CID 58819344
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
3-(6-ethenyl-2,12-diphenyltetradec-9-en-4-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 170686978
(E)-5-phenylhept-2-enal
CID 122379804
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
CID 58836420
(3R)-3-phenylpentanal
CID 12598589
pentan-2-ylbenzene
CID 17627
azane;pentan-3-ylbenzene
CID 19774895
4,7-diphenyloctan-2-ylbenzene
CID 21184937

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene?
The IUPAC name of [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene (CID 58843288) is [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene.
What is the SMILES notation for [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene?
The canonical SMILES for [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene is CCC(C/C=C\CCC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene?
The InChIKey is WRINTCWGYNFXRV-YWEYNIOJSA-N. The full InChI is InChI=1S/C22H28/c1-3-20(22-17-11-6-12-18-22)14-8-4-7-13-19(2)21-15-9-5-10-16-21/h4-6,8-12,15-20H,3,7,13-14H2,1-2H3/b8-4-.
What are the key properties of [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene?
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-ethyl-7-phenyloct-3-enyl]benzene is sourced from PubChem (CID 58843288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).