(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene

C20H22 — CID 174326302

IUPAC(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC=Cc1c(C=C)c(/C=C\C)/c(=C/C=C\C)c(=C)c1C=C
InChIInChI=1S/C20H22/c1-7-12-14-19-15(6)16(9-3)17(10-4)18(11-5)20(19)13-8-2/h7-14H,3-6H2,1-2H3/b12-7-,13-8-,19-14+
InChIKeyNGAISAGPHOGEIA-CTWBTGMNSA-N
MW262.40 g/mol
LogP4.42
Rot. Bonds5

About (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene

(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 174326302) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID174326302
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC=Cc1c(C=C)c(/C=C\C)/c(=C/C=C\C)c(=C)c1C=C
InChIInChI=1S/C20H22/c1-7-12-14-19-15(6)16(9-3)17(10-4)18(11-5)20(19)13-8-2/h7-14H,3-6H2,1-2H3/b12-7-,13-8-,19-14+
InChIKeyNGAISAGPHOGEIA-CTWBTGMNSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 176958582
(1E)-1-[2-[(1Z)-buta-1,3-dienyl]-3,4,6-tris(ethenyl)-5-[(Z)-prop-1-enyl]phenyl]buta-1,3-diene-1-thiol
CID 166695987
(1E)-1-[2-[(1Z)-buta-1,3-dienyl]-3,4-bis(ethenyl)-6-methyl-5-[(Z)-prop-1-enyl]phenyl]buta-1,3-diene-2-thiol
CID 166695909
(5E)-5-[(Z)-but-2-enylidene]-2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]cyclohex-2-ene-1,4-dione;ethane
CID 144875528
1-ethenyl-2,3,5-trifluoro-4-methyl-6-[(E)-prop-1-enyl]benzene
CID 139403704
(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120171
2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
CID 166734172
3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]thiophene
CID 135215565
ethane;(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120170
(2E)-2-[(Z)-but-2-enylidene]-6-ethenyl-1-methyl-3-methylidene-7-[(Z)-prop-1-enyl]azepine
CID 143892145
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene (CID 174326302) is (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene is C=Cc1c(C=C)c(/C=C\C)/c(=C/C=C\C)c(=C)c1C=C.
What is the InChIKey of (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is NGAISAGPHOGEIA-CTWBTGMNSA-N. The full InChI is InChI=1S/C20H22/c1-7-12-14-19-15(6)16(9-3)17(10-4)18(11-5)20(19)13-8-2/h7-14H,3-6H2,1-2H3/b12-7-,13-8-,19-14+.
What are the key properties of (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
(5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 262.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(Z)-but-2-enylidene]-1,2,3-tris(ethenyl)-6-methylidene-4-[(Z)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 174326302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).