1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene

C19H20 — CID 144938700

IUPAC1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
SMILESC=C/C=C(\C=C)c1cccc(C(/C=C\C)=C/C=C)c1
InChIInChI=1S/C19H20/c1-5-10-16(8-4)18-13-9-14-19(15-18)17(11-6-2)12-7-3/h5-15H,1-2,4H2,3H3/b12-7-,16-10+,17-11+
InChIKeyUSLOXMAWHUOEOJ-WMYANDRUSA-N
MW248.37 g/mol
LogP5.59
Rot. Bonds6

About 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene

1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene (PubChem CID 144938700) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene.

Molecular Properties

Compound Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
PubChem CID144938700
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene
SMILESC=C/C=C(\C=C)c1cccc(C(/C=C\C)=C/C=C)c1
InChIInChI=1S/C19H20/c1-5-10-16(8-4)18-13-9-14-19(15-18)17(11-6-2)12-7-3/h5-15H,1-2,4H2,3H3/b12-7-,16-10+,17-11+
InChIKeyUSLOXMAWHUOEOJ-WMYANDRUSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.59
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

1-buta-1,3-dien-2-yl-3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]benzene
CID 145073246
1-ethyl-3-[(3E,5E)-hepta-1,3,5-trien-4-yl]benzene
CID 145212494
1-[(3E)-hexa-1,3,5-trien-3-yl]-3-prop-1-en-2-ylbenzene
CID 156839306
3-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-[[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-(methylideneamino)methylidene]-N'-methylbenzenecarboximidamide
CID 144989732
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-(4-methylphenyl)benzene;1-[(3E)-hexa-1,3,5-trien-3-yl]-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;bis(1-methyl-4-(3-phenylphenyl)benzene)
CID 142053995
3-[(3E)-hexa-1,3,5-trien-3-yl]benzoic acid
CID 118859642
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
ethane;[(3E)-hexa-1,3,5-trien-3-yl]benzene;molecular hydrogen
CID 142347036
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-9H-carbazole
CID 167223078
1-[(E)-but-2-en-2-yl]-3-[(3E)-penta-1,3-dien-3-yl]benzene
CID 145141155
2-[3-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 145390884
ethane;1-methyl-3-[(2E,4E)-7-methylocta-2,4,6-trien-4-yl]benzene
CID 143291684

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene?
The IUPAC name of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene (CID 144938700) is 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene.
What is the SMILES notation for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene?
The canonical SMILES for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene is C=C/C=C(\C=C)c1cccc(C(/C=C\C)=C/C=C)c1.
What is the InChIKey of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene?
The InChIKey is USLOXMAWHUOEOJ-WMYANDRUSA-N. The full InChI is InChI=1S/C19H20/c1-5-10-16(8-4)18-13-9-14-19(15-18)17(11-6-2)12-7-3/h5-15H,1-2,4H2,3H3/b12-7-,16-10+,17-11+.
What are the key properties of 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene?
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]benzene is sourced from PubChem (CID 144938700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).