ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene

C20H24 — CID 145073107

IUPACethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
SMILESC/C=C\C(=C/C)c1cccc(-c2ccccc2)c1.CC
InChIInChI=1S/C18H18.C2H6/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16;1-2/h3-14H,1-2H3;1-2H3/b9-3-,15-4+;
InChIKeyLUWOMEUEZKPIAT-MUQZJOHJSA-N
MW264.41 g/mol
LogP6.36
Rot. Bonds3

About ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene

ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene (PubChem CID 145073107) has the molecular formula C20H24 and a molecular weight of 264.41 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
PubChem CID145073107
Molecular FormulaC20H24
Molecular Weight264.41 g/mol
Exact Mass264.19
IUPAC Nameethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
SMILESC/C=C\C(=C/C)c1cccc(-c2ccccc2)c1.CC
InChIInChI=1S/C18H18.C2H6/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16;1-2/h3-14H,1-2H3;1-2H3/b9-3-,15-4+;
InChIKeyLUWOMEUEZKPIAT-MUQZJOHJSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 56.36
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-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
1-nona-2,4,7-trien-3-yl-3-phenylbenzene
CID 123251128
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
1-ethyl-3-[3-[3-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]phenyl]phenyl]benzene
CID 142394585
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
CID 123475710
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-10-[4-[(3E)-penta-1,3-dien-3-yl]phenyl]anthracene
CID 168994151
ethane;N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145390494
1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-N-methylethenamine
CID 144892717
ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143094204
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene?
The IUPAC name of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene (CID 145073107) is ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene.
What is the SMILES notation for ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene?
The canonical SMILES for ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene is C/C=C\C(=C/C)c1cccc(-c2ccccc2)c1.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene?
The InChIKey is LUWOMEUEZKPIAT-MUQZJOHJSA-N. The full InChI is InChI=1S/C18H18.C2H6/c1-3-9-15(4-2)17-12-8-13-18(14-17)16-10-6-5-7-11-16;1-2/h3-14H,1-2H3;1-2H3/b9-3-,15-4+;.
What are the key properties of ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene?
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene has a molecular weight of 264.41 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene is sourced from PubChem (CID 145073107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).