ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene

C22H28 — CID 155701822

IUPACethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene
SMILESC=CC(=C)C(C=C)=C(/C=C(\C)c1ccccc1)C(=C)C.CC
InChIInChI=1S/C20H22.C2H6/c1-7-16(5)19(8-2)20(15(3)4)14-17(6)18-12-10-9-11-13-18;1-2/h7-14H,1-3,5H2,4,6H3;1-2H3/b17-14+,20-19+;
InChIKeyQNDSUFSCPWLIJX-CBTMUZHYSA-N
MW292.47 g/mol
LogP6.92
Rot. Bonds6

About ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene

ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene (PubChem CID 155701822) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene.

Molecular Properties

Compound Nameethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene
PubChem CID155701822
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Nameethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene
SMILESC=CC(=C)C(C=C)=C(/C=C(\C)c1ccccc1)C(=C)C.CC
InChIInChI=1S/C20H22.C2H6/c1-7-16(5)19(8-2)20(15(3)4)14-17(6)18-12-10-9-11-13-18;1-2/h7-14H,1-3,5H2,4,6H3;1-2H3/b17-14+,20-19+;
InChIKeyQNDSUFSCPWLIJX-CBTMUZHYSA-N
XLogP6.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 56.92
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
Cumene
CID 7406
Butylbenzene
CID 7705

Frequently Asked Questions

What is the IUPAC name of ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene?
The IUPAC name of ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene (CID 155701822) is ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene.
What is the SMILES notation for ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene?
The canonical SMILES for ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene is C=CC(=C)C(C=C)=C(/C=C(\C)c1ccccc1)C(=C)C.CC.
What is the InChIKey of ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene?
The InChIKey is QNDSUFSCPWLIJX-CBTMUZHYSA-N. The full InChI is InChI=1S/C20H22.C2H6/c1-7-16(5)19(8-2)20(15(3)4)14-17(6)18-12-10-9-11-13-18;1-2/h7-14H,1-3,5H2,4,6H3;1-2H3/b17-14+,20-19+;.
What are the key properties of ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene?
ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene has a molecular weight of 292.47 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2E,4E)-5-ethenyl-6-methylidene-4-prop-1-en-2-ylocta-2,4,7-trien-2-yl]benzene is sourced from PubChem (CID 155701822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).