4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene

C17H24 — CID 163775080

IUPAC4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene
SMILESC=C=C1CC=C(CC/C=C/C(C)=C\CC)CC1
InChIInChI=1S/C17H24/c1-4-8-15(3)9-6-7-10-17-13-11-16(5-2)12-14-17/h6,8-9,13H,2,4,7,10-12,14H2,1,3H3/b9-6+,15-8-
InChIKeyMJSPAJZNUHMTIS-BUEOZKIHSA-N
MW228.38 g/mol
LogP5.50
Rot. Bonds5

About 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene

4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene (PubChem CID 163775080) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene.

Molecular Properties

Compound Name4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene
PubChem CID163775080
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene
SMILESC=C=C1CC=C(CC/C=C/C(C)=C\CC)CC1
InChIInChI=1S/C17H24/c1-4-8-15(3)9-6-7-10-17-13-11-16(5-2)12-14-17/h6,8-9,13H,2,4,7,10-12,14H2,1,3H3/b9-6+,15-8-
InChIKeyMJSPAJZNUHMTIS-BUEOZKIHSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.50
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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Frequently Asked Questions

What is the IUPAC name of 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene?
The IUPAC name of 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene (CID 163775080) is 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene.
What is the SMILES notation for 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene?
The canonical SMILES for 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene is C=C=C1CC=C(CC/C=C/C(C)=C\CC)CC1.
What is the InChIKey of 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene?
The InChIKey is MJSPAJZNUHMTIS-BUEOZKIHSA-N. The full InChI is InChI=1S/C17H24/c1-4-8-15(3)9-6-7-10-17-13-11-16(5-2)12-14-17/h6,8-9,13H,2,4,7,10-12,14H2,1,3H3/b9-6+,15-8-.
What are the key properties of 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene?
4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene has a molecular weight of 228.38 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylidene-1-[(3E,5Z)-5-methylocta-3,5-dienyl]cyclohexene is sourced from PubChem (CID 163775080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).