5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene

C17H20 — CID 175079715

IUPAC5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene
SMILESC=CC1(CCC)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C17H20/c1-3-12-17(4-2)13-8-11-16(14-17)15-9-6-5-7-10-15/h4-11,13H,2-3,12,14H2,1H3
InChIKeyLJJFYYBSBPWRJL-UHFFFAOYSA-N
MW224.35 g/mol
LogP5.00
Rot. Bonds4

About 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene

5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene (PubChem CID 175079715) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene
PubChem CID175079715
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene
SMILESC=CC1(CCC)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C17H20/c1-3-12-17(4-2)13-8-11-16(14-17)15-9-6-5-7-10-15/h4-11,13H,2-3,12,14H2,1H3
InChIKeyLJJFYYBSBPWRJL-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene (CID 175079715) is 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene is C=CC1(CCC)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene?
The InChIKey is LJJFYYBSBPWRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-3-12-17(4-2)13-8-11-16(14-17)15-9-6-5-7-10-15/h4-11,13H,2-3,12,14H2,1H3.
What are the key properties of 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene?
5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene has a molecular weight of 224.35 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene is sourced from PubChem (CID 175079715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).