ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene

C24H30 — CID 142343113

IUPACethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene
SMILESC=Cc1ccccc1-c1cc(C(/C=C\CC)=C/C)ccc1C.CC
InChIInChI=1S/C22H24.C2H6/c1-5-8-11-18(6-2)20-15-14-17(4)22(16-20)21-13-10-9-12-19(21)7-3;1-2/h6-16H,3,5H2,1-2,4H3;1-2H3/b11-8-,18-6+;
InChIKeyHWJRZQOVRQWPKX-ASERXWTESA-N
MW318.50 g/mol
LogP7.70
Rot. Bonds5

About ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene

ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene (PubChem CID 142343113) has the molecular formula C24H30 and a molecular weight of 318.50 g/mol. Its IUPAC name is ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene.

Molecular Properties

Compound Nameethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene
PubChem CID142343113
Molecular FormulaC24H30
Molecular Weight318.50 g/mol
Exact Mass318.23
IUPAC Nameethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene
SMILESC=Cc1ccccc1-c1cc(C(/C=C\CC)=C/C)ccc1C.CC
InChIInChI=1S/C22H24.C2H6/c1-5-8-11-18(6-2)20-15-14-17(4)22(16-20)21-13-10-9-12-19(21)7-3;1-2/h6-16H,3,5H2,1-2,4H3;1-2H3/b11-8-,18-6+;
InChIKeyHWJRZQOVRQWPKX-ASERXWTESA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 57.70
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

ethane;1-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylbenzene
CID 165141604
2-[(1E,3Z,5Z)-1-[(6E)-6-[1-[3-(2-ethenylphenyl)-4-methylphenyl]prop-2-enylidene]cyclohexa-2,4-dien-1-ylidene]hepta-3,5-dienyl]naphthalene
CID 144809864
1-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylbenzene
CID 143750255
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
1,2-bis(ethenyl)-3-(2-methylphenyl)benzene
CID 143516768
3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
CID 145017041
ethane;2-[(2E,4Z)-hepta-2,4-dien-3-yl]-7-phenyl-[1]benzothiolo[3,2-b][1]benzothiole
CID 144577717
1-ethyl-4-[(3E,5Z)-2-[5-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-propylphenyl]hepta-1,3,5-trien-4-yl]-2-(2-methyl-4-phenylphenyl)benzene
CID 145264883
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium;pent-2-ene;2-phenylpyridine
CID 155691096
ethane;ethene;1-ethenyl-2-methylbenzene;propane
CID 142045416
4-[4-[(E)-cyclohexa-2,4-dien-1-ylidene-(2-ethenylphenyl)methyl]phenyl]-1-methyl-2-(2-methylphenyl)benzene
CID 143283019
1,2-bis(ethenyl)benzene;ethane;prop-1-ene
CID 143139503

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene?
The IUPAC name of ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene (CID 142343113) is ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene.
What is the SMILES notation for ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene?
The canonical SMILES for ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene is C=Cc1ccccc1-c1cc(C(/C=C\CC)=C/C)ccc1C.CC.
What is the InChIKey of ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene?
The InChIKey is HWJRZQOVRQWPKX-ASERXWTESA-N. The full InChI is InChI=1S/C22H24.C2H6/c1-5-8-11-18(6-2)20-15-14-17(4)22(16-20)21-13-10-9-12-19(21)7-3;1-2/h6-16H,3,5H2,1-2,4H3;1-2H3/b11-8-,18-6+;.
What are the key properties of ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene?
ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene has a molecular weight of 318.50 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethenylphenyl)-4-[(2E,4Z)-hepta-2,4-dien-3-yl]-1-methylbenzene is sourced from PubChem (CID 142343113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).