cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene

C12H16 — CID 164866852

IUPACcyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene
SMILESC1=CC=CCC=C1.C=C/C=C\C
InChIInChI=1S/C7H8.C5H8/c1-2-4-6-7-5-3-1;1-3-5-4-2/h1-6H,7H2;3-5H,1H2,2H3/b;5-4-
InChIKeyRYJMUORQWWIYCG-GUHKXDMSSA-N
MW160.26 g/mol
LogP3.81
Rot. Bonds1

About cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene

cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene (PubChem CID 164866852) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene.

Molecular Properties

Compound Namecyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene
PubChem CID164866852
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Namecyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene
SMILESC1=CC=CCC=C1.C=C/C=C\C
InChIInChI=1S/C7H8.C5H8/c1-2-4-6-7-5-3-1;1-3-5-4-2/h1-6H,7H2;3-5H,1H2,2H3/b;5-4-
InChIKeyRYJMUORQWWIYCG-GUHKXDMSSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene?
The IUPAC name of cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene (CID 164866852) is cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene.
What is the SMILES notation for cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene?
The canonical SMILES for cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene is C1=CC=CCC=C1.C=C/C=C\C.
What is the InChIKey of cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene?
The InChIKey is RYJMUORQWWIYCG-GUHKXDMSSA-N. The full InChI is InChI=1S/C7H8.C5H8/c1-2-4-6-7-5-3-1;1-3-5-4-2/h1-6H,7H2;3-5H,1H2,2H3/b;5-4-.
What are the key properties of cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene?
cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene has a molecular weight of 160.26 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-1,3,5-triene;(3Z)-penta-1,3-diene is sourced from PubChem (CID 164866852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).