1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene

C32H56 — CID 10939121

IUPAC1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene
SMILESCCCC1=C(CCC)C2(CCC)C1(CCC)C1(CCC)C(CCC)=C(CCC)C21CCC
InChIInChI=1S/C32H56/c1-9-17-25-26(18-10-2)30(22-14-6)29(25,21-13-5)31(23-15-7)27(19-11-3)28(20-12-4)32(30,31)24-16-8/h9-24H2,1-8H3
InChIKeySYJJVLXWAQNYAH-UHFFFAOYSA-N
MW440.80 g/mol
LogP10.97
Rot. Bonds16

About 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene

1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene (PubChem CID 10939121) has the molecular formula C32H56 and a molecular weight of 440.80 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene
PubChem CID10939121
Molecular FormulaC32H56
Molecular Weight440.80 g/mol
Exact Mass440.44
IUPAC Name1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene
SMILESCCCC1=C(CCC)C2(CCC)C1(CCC)C1(CCC)C(CCC)=C(CCC)C21CCC
InChIInChI=1S/C32H56/c1-9-17-25-26(18-10-2)30(22-14-6)29(25,21-13-5)31(23-15-7)27(19-11-3)28(20-12-4)32(30,31)24-16-8/h9-24H2,1-8H3
InChIKeySYJJVLXWAQNYAH-UHFFFAOYSA-N
XLogP10.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene?
The IUPAC name of 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene (CID 10939121) is 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene?
The canonical SMILES for 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene is CCCC1=C(CCC)C2(CCC)C1(CCC)C1(CCC)C(CCC)=C(CCC)C21CCC.
What is the InChIKey of 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene?
The InChIKey is SYJJVLXWAQNYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56/c1-9-17-25-26(18-10-2)30(22-14-6)29(25,21-13-5)31(23-15-7)27(19-11-3)28(20-12-4)32(30,31)24-16-8/h9-24H2,1-8H3.
What are the key properties of 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene?
1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene has a molecular weight of 440.80 g/mol, XLogP of 10.97, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octapropyltricyclo[4.2.0.02,5]octa-3,7-diene is sourced from PubChem (CID 10939121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).