1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene

C15H20 — CID 90814830

IUPAC1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene
SMILESC=CC=C(C=CC1=CC=CCC1)CCC
InChIInChI=1S/C15H20/c1-3-8-14(9-4-2)12-13-15-10-6-5-7-11-15/h3,5-6,8,10,12-13H,1,4,7,9,11H2,2H3
InChIKeyACZXTSHUZBDUOG-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.73
Rot. Bonds5

About 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene

1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene (PubChem CID 90814830) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene
PubChem CID90814830
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene
SMILESC=CC=C(C=CC1=CC=CCC1)CCC
InChIInChI=1S/C15H20/c1-3-8-14(9-4-2)12-13-15-10-6-5-7-11-15/h3,5-6,8,10,12-13H,1,4,7,9,11H2,2H3
InChIKeyACZXTSHUZBDUOG-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.73
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 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene?
The IUPAC name of 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene (CID 90814830) is 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene.
What is the SMILES notation for 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene?
The canonical SMILES for 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene is C=CC=C(C=CC1=CC=CCC1)CCC.
What is the InChIKey of 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene?
The InChIKey is ACZXTSHUZBDUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-8-14(9-4-2)12-13-15-10-6-5-7-11-15/h3,5-6,8,10,12-13H,1,4,7,9,11H2,2H3.
What are the key properties of 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene?
1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene has a molecular weight of 200.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylhexa-1,3,5-trienyl)cyclohexa-1,3-diene is sourced from PubChem (CID 90814830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).