(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol

C36H50F3NO — CID 178040337

IUPAC(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCCN1C)=C(C)CC.CCC/C=c1\cccc\c1=C\C=C(/C)O
InChIInChI=1S/C22H32F3N.C14H18O/c1-6-11-18(15-19(12-7-2)22(23,24)25)21(17(4)8-3)16-20-13-9-10-14-26(20)5;1-3-4-7-13-8-5-6-9-14(13)11-10-12(2)15/h6,11-12,15-16H,7-10,13-14H2,1-5H3;5-11,15H,3-4H2,1-2H3/b11-6-,18-15+,19-12-,20-16-,21-17?;12-10+,13-7+,14-11-
InChIKeyUUPOOHANCYUYOT-FEVDLQAOSA-N
MW569.80 g/mol
LogP9.62
Rot. Bonds9

About (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol

(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol (PubChem CID 178040337) has the molecular formula C36H50F3NO and a molecular weight of 569.80 g/mol. Its IUPAC name is (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol.

Molecular Properties

Compound Name(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol
PubChem CID178040337
Molecular FormulaC36H50F3NO
Molecular Weight569.80 g/mol
Exact Mass569.38
IUPAC Name(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol
SMILESC/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCCN1C)=C(C)CC.CCC/C=c1\cccc\c1=C\C=C(/C)O
InChIInChI=1S/C22H32F3N.C14H18O/c1-6-11-18(15-19(12-7-2)22(23,24)25)21(17(4)8-3)16-20-13-9-10-14-26(20)5;1-3-4-7-13-8-5-6-9-14(13)11-10-12(2)15/h6,11-12,15-16H,7-10,13-14H2,1-5H3;5-11,15H,3-4H2,1-2H3/b11-6-,18-15+,19-12-,20-16-,21-17?;12-10+,13-7+,14-11-
InChIKeyUUPOOHANCYUYOT-FEVDLQAOSA-N
XLogP9.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.80
LogP ≤ 59.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol?
The IUPAC name of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol (CID 178040337) is (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol.
What is the SMILES notation for (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol?
The canonical SMILES for (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol is C/C=C\C(=C/C(=C/CC)C(F)(F)F)C(/C=C1/CCCCN1C)=C(C)CC.CCC/C=c1\cccc\c1=C\C=C(/C)O.
What is the InChIKey of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol?
The InChIKey is UUPOOHANCYUYOT-FEVDLQAOSA-N. The full InChI is InChI=1S/C22H32F3N.C14H18O/c1-6-11-18(15-19(12-7-2)22(23,24)25)21(17(4)8-3)16-20-13-9-10-14-26(20)5;1-3-4-7-13-8-5-6-9-14(13)11-10-12(2)15/h6,11-12,15-16H,7-10,13-14H2,1-5H3;5-11,15H,3-4H2,1-2H3/b11-6-,18-15+,19-12-,20-16-,21-17?;12-10+,13-7+,14-11-.
What are the key properties of (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol?
(2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol has a molecular weight of 569.80 g/mol, XLogP of 9.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3E,5Z)-2-butan-2-ylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)octa-3,5-dienylidene]-1-methylpiperidine;(E,4Z)-4-[(6E)-6-butylidenecyclohexa-2,4-dien-1-ylidene]but-2-en-2-ol is sourced from PubChem (CID 178040337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).