5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene

C28H36 — CID 57036925

IUPAC5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene
SMILESC=CC=CCCC=CC=CC1(C=CCCCC=CC=C)C=CC=CCCC1=C
InChIInChI=1S/C28H36/c1-4-6-8-10-12-14-17-21-25-28(24-20-16-13-11-9-7-5-2)26-22-18-15-19-23-27(28)3/h4-9,14-15,17-18,20-22,24-26H,1-3,10-13,16,19,23H2
InChIKeyGBDSXCDZPRKUHK-UHFFFAOYSA-N
MW372.60 g/mol
LogP8.54
Rot. Bonds12

About 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene

5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene (PubChem CID 57036925) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene.

Molecular Properties

Compound Name5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene
PubChem CID57036925
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene
SMILESC=CC=CCCC=CC=CC1(C=CCCCC=CC=C)C=CC=CCCC1=C
InChIInChI=1S/C28H36/c1-4-6-8-10-12-14-17-21-25-28(24-20-16-13-11-9-7-5-2)26-22-18-15-19-23-27(28)3/h4-9,14-15,17-18,20-22,24-26H,1-3,10-13,16,19,23H2
InChIKeyGBDSXCDZPRKUHK-UHFFFAOYSA-N
XLogP8.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 58.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene?
The IUPAC name of 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene (CID 57036925) is 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene.
What is the SMILES notation for 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene?
The canonical SMILES for 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene is C=CC=CCCC=CC=CC1(C=CCCCC=CC=C)C=CC=CCCC1=C.
What is the InChIKey of 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene?
The InChIKey is GBDSXCDZPRKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36/c1-4-6-8-10-12-14-17-21-25-28(24-20-16-13-11-9-7-5-2)26-22-18-15-19-23-27(28)3/h4-9,14-15,17-18,20-22,24-26H,1-3,10-13,16,19,23H2.
What are the key properties of 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene?
5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene has a molecular weight of 372.60 g/mol, XLogP of 8.54, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deca-1,3,7,9-tetraenyl-6-methylidene-5-nona-1,6,8-trienylcycloocta-1,3-diene is sourced from PubChem (CID 57036925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).