1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene

C24H30 — CID 144615738

IUPAC1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene
SMILESC=C(/C=C\CC1=CC=CCC1C(C)C=CCC)c1ccccc1C
InChIInChI=1S/C24H30/c1-5-6-12-21(4)24-18-10-8-15-22(24)16-11-14-20(3)23-17-9-7-13-19(23)2/h6-15,17,21,24H,3,5,16,18H2,1-2,4H3/b12-6?,14-11-
InChIKeyCYJLEWHWVOCWGD-XOZGXGMZSA-N
MW318.50 g/mol
LogP7.06
Rot. Bonds7

About 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene

1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene (PubChem CID 144615738) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene
PubChem CID144615738
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Name1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene
SMILESC=C(/C=C\CC1=CC=CCC1C(C)C=CCC)c1ccccc1C
InChIInChI=1S/C24H30/c1-5-6-12-21(4)24-18-10-8-15-22(24)16-11-14-20(3)23-17-9-7-13-19(23)2/h6-15,17,21,24H,3,5,16,18H2,1-2,4H3/b12-6?,14-11-
InChIKeyCYJLEWHWVOCWGD-XOZGXGMZSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethylphenyl)-2-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)pyridine
CID 170140945
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
cyclohepta-1,3,5-triene;ethene;1-[(2Z)-hepta-2,4-dien-4-yl]-2-methylbenzene
CID 143300739
2-methylbutane;1-[1-(6-pent-2-enylcyclohexa-1,3-dien-1-yl)ethenyl]-2-[(Z)-prop-1-enyl]benzene
CID 163298369
1-(2-methylphenyl)butane-1,2-dione
CID 69199618
4-[(1E)-3-(2-methylphenyl)buta-1,3-dienyl]tricyclo[4.4.0.02,10]deca-1,3,5,7,9-pentaene
CID 145023526
ethane;(Z,2E)-2-ethylidene-1-(2-methylphenyl)hex-3-en-1-one
CID 142097365
(1Z,3Z)-N,2-dimethyl-1-(2-methylphenyl)hexa-1,3-dien-1-amine
CID 167045869
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
2-methylidene-1-(2-methylphenyl)pent-4-en-1-one
CID 160526359
1-methyl-2-[(3E,5Z)-4-(2-methylphenyl)hepta-1,3,5-trien-2-yl]benzene
CID 144508222
(Z)-1-cyclohexa-1,3-dien-1-yl-3-(2-methylphenyl)pent-2-en-1-imine
CID 160944835

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene?
The IUPAC name of 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene (CID 144615738) is 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene is C=C(/C=C\CC1=CC=CCC1C(C)C=CCC)c1ccccc1C.
What is the InChIKey of 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene?
The InChIKey is CYJLEWHWVOCWGD-XOZGXGMZSA-N. The full InChI is InChI=1S/C24H30/c1-5-6-12-21(4)24-18-10-8-15-22(24)16-11-14-20(3)23-17-9-7-13-19(23)2/h6-15,17,21,24H,3,5,16,18H2,1-2,4H3/b12-6?,14-11-.
What are the key properties of 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene?
1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene has a molecular weight of 318.50 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-(6-hex-3-en-2-ylcyclohexa-1,3-dien-1-yl)penta-1,3-dien-2-yl]-2-methylbenzene is sourced from PubChem (CID 144615738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).