[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene

C21H28 — CID 142235568

IUPAC[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
SMILESC=C/C(=C\C=C/C)C(=C(CCC)CCC)c1ccccc1
InChIInChI=1S/C21H28/c1-5-9-15-18(8-4)21(19(13-6-2)14-7-3)20-16-11-10-12-17-20/h5,8-12,15-17H,4,6-7,13-14H2,1-3H3/b9-5-,18-15+
InChIKeyOTLQOHOGXHIWKB-SPLVJYBBSA-N
MW280.46 g/mol
LogP6.73
Rot. Bonds8

About [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene

[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene (PubChem CID 142235568) has the molecular formula C21H28 and a molecular weight of 280.46 g/mol. Its IUPAC name is [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene.

Molecular Properties

Compound Name[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
PubChem CID142235568
Molecular FormulaC21H28
Molecular Weight280.46 g/mol
Exact Mass280.22
IUPAC Name[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene
SMILESC=C/C(=C\C=C/C)C(=C(CCC)CCC)c1ccccc1
InChIInChI=1S/C21H28/c1-5-9-15-18(8-4)21(19(13-6-2)14-7-3)20-16-11-10-12-17-20/h5,8-12,15-17H,4,6-7,13-14H2,1-3H3/b9-5-,18-15+
InChIKeyOTLQOHOGXHIWKB-SPLVJYBBSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.46
LogP ≤ 56.73
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

CID 177024832
CID 177024832
(1Z,3E,5Z)-3-ethenyl-1-phenylhepta-1,3,5-triene-1,2-dithiol
CID 145408406
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
(E)-2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-phenylbut-2-enedinitrile
CID 142275586
(1-phenylethylideneamino) (2E,4Z)-2-ethenylhexa-2,4-dienoate
CID 138565048
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
pent-1-en-2-ylbenzene
CID 521761
[(3E,5E)-nona-1,3,5-trien-3-yl]benzene
CID 100974520
ethane;N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenylhydroxylamine
CID 144754193
S-[1-(4-chlorophenyl)-3-oxo-3-phenylpropyl] (2E,4E)-2-ethenylhexa-2,4-dienethioate
CID 22302571
(4E,6Z)-4-ethenylocta-4,6-dien-3-one;N-methylmethanamine
CID 143337723
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594

Frequently Asked Questions

What is the IUPAC name of [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene?
The IUPAC name of [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene (CID 142235568) is [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene.
What is the SMILES notation for [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene?
The canonical SMILES for [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene is C=C/C(=C\C=C/C)C(=C(CCC)CCC)c1ccccc1.
What is the InChIKey of [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene?
The InChIKey is OTLQOHOGXHIWKB-SPLVJYBBSA-N. The full InChI is InChI=1S/C21H28/c1-5-9-15-18(8-4)21(19(13-6-2)14-7-3)20-16-11-10-12-17-20/h5,8-12,15-17H,4,6-7,13-14H2,1-3H3/b9-5-,18-15+.
What are the key properties of [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene?
[(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene has a molecular weight of 280.46 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,8Z)-6-ethenyl-4-propyldeca-4,6,8-trien-5-yl]benzene is sourced from PubChem (CID 142235568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).