2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene

C26H32 — CID 143183807

IUPAC2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene
SMILESC=C=C(C)c1cc(CC/C(=C/C(=C)C)C2=CCCC=C2C)ccc1CC
InChIInChI=1S/C26H32/c1-7-20(5)26-18-22(13-15-23(26)8-2)14-16-24(17-19(3)4)25-12-10-9-11-21(25)6/h11-13,15,17-18H,1,3,8-10,14,16H2,2,4-6H3/b24-17-
InChIKeyVWLYAGYNXCDINZ-ULJHMMPZSA-N
MW344.54 g/mol
LogP7.54
Rot. Bonds7

About 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene

2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene (PubChem CID 143183807) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene.

Molecular Properties

Compound Name2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene
PubChem CID143183807
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene
SMILESC=C=C(C)c1cc(CC/C(=C/C(=C)C)C2=CCCC=C2C)ccc1CC
InChIInChI=1S/C26H32/c1-7-20(5)26-18-22(13-15-23(26)8-2)14-16-24(17-19(3)4)25-12-10-9-11-21(25)6/h11-13,15,17-18H,1,3,8-10,14,16H2,2,4-6H3/b24-17-
InChIKeyVWLYAGYNXCDINZ-ULJHMMPZSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 57.54
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-ethyl-4-[(3Z)-5-methyl-3-(2-methylphenyl)hexa-3,5-dienyl]-2-prop-1-en-2-ylbenzene;N-[3-methyl-3-(methylamino)pent-1-en-2-yl]formamide
CID 143510100
4-(2-cyclopropylethyl)-1-ethyl-2-prop-1-en-2-ylbenzene
CID 143183881
ethane;2-ethenyl-4-(3-methylbut-3-enyl)-1-propylbenzene
CID 143112871
2-[(3Z)-hepta-1,3-dien-4-yl]-3-methylcyclohexa-1,3-diene
CID 176659804
(3Z)-1-(3-ethyl-4-methylphenyl)-5-methyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine;N-methyl-1-phenylethanimine
CID 143995489
1-[1-[4-(6-but-2-en-2-yl-3-ethenylidene-4-methylnona-4,6-dienyl)phenyl]ethenyl]-2-ethyl-4-methylbenzene
CID 123447151
1-(6-methylcyclohexa-1,5-dien-1-yl)-4-[[4-methyl-3-[1-[4-(6-methylcyclohexa-1,5-dien-1-yl)piperazin-1-yl]ethenyl]phenyl]methyl]piperazine
CID 134513637
2-ethyl-4-[(2E,5Z)-10-(3-ethyl-4-methylphenyl)-2,5-dimethyl-8-methylidenedeca-2,5-dienyl]-1-methylbenzene
CID 144526244
N-[(2Z)-1-(4-ethylphenyl)-4-methylpenta-2,4-dien-2-yl]propan-2-imine
CID 146590131
1-[1-(2-ethyl-5-propylphenyl)ethenyl]-4-(4-pentylphenyl)piperazine
CID 142884806
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
2-[(3E,5Z)-5-ethylidene-4-methylocta-1,3-dien-3-yl]-3-methylcyclohexa-1,3-diene
CID 142463304

Frequently Asked Questions

What is the IUPAC name of 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene?
The IUPAC name of 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene (CID 143183807) is 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene.
What is the SMILES notation for 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene?
The canonical SMILES for 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene is C=C=C(C)c1cc(CC/C(=C/C(=C)C)C2=CCCC=C2C)ccc1CC.
What is the InChIKey of 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene?
The InChIKey is VWLYAGYNXCDINZ-ULJHMMPZSA-N. The full InChI is InChI=1S/C26H32/c1-7-20(5)26-18-22(13-15-23(26)8-2)14-16-24(17-19(3)4)25-12-10-9-11-21(25)6/h11-13,15,17-18H,1,3,8-10,14,16H2,2,4-6H3/b24-17-.
What are the key properties of 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene?
2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene has a molecular weight of 344.54 g/mol, XLogP of 7.54, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-buta-2,3-dien-2-yl-1-ethyl-4-[(3Z)-5-methyl-3-(6-methylcyclohexa-1,5-dien-1-yl)hexa-3,5-dienyl]benzene is sourced from PubChem (CID 143183807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).