bis(1-tricyclo[4.4.0.03,8]decanyl)diazene

C20H30N2 — CID 15153628

IUPACbis(1-tricyclo[4.4.0.03,8]decanyl)diazene
SMILESC1CC2(/N=N/C34CCC5CC3CCC5C4)CC3CCC2CC13
InChIInChI=1S/C20H30N2/c1-3-17-9-13-5-7-19(17,11-15(1)13)21-22-20-8-6-14-10-18(20)4-2-16(14)12-20/h13-18H,1-12H2/b22-21+
InChIKeyMPGBSAYDGHNYOC-QURGRASLSA-N
MW298.47 g/mol
LogP5.38
Rot. Bonds2

About bis(1-tricyclo[4.4.0.03,8]decanyl)diazene

bis(1-tricyclo[4.4.0.03,8]decanyl)diazene (PubChem CID 15153628) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is bis(1-tricyclo[4.4.0.03,8]decanyl)diazene.

Molecular Properties

Compound Namebis(1-tricyclo[4.4.0.03,8]decanyl)diazene
PubChem CID15153628
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Namebis(1-tricyclo[4.4.0.03,8]decanyl)diazene
SMILESC1CC2(/N=N/C34CCC5CC3CCC5C4)CC3CCC2CC13
InChIInChI=1S/C20H30N2/c1-3-17-9-13-5-7-19(17,11-15(1)13)21-22-20-8-6-14-10-18(20)4-2-16(14)12-20/h13-18H,1-12H2/b22-21+
InChIKeyMPGBSAYDGHNYOC-QURGRASLSA-N
XLogP5.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(1-tricyclo[4.4.0.03,8]decanyl)diazene?
The IUPAC name of bis(1-tricyclo[4.4.0.03,8]decanyl)diazene (CID 15153628) is bis(1-tricyclo[4.4.0.03,8]decanyl)diazene.
What is the SMILES notation for bis(1-tricyclo[4.4.0.03,8]decanyl)diazene?
The canonical SMILES for bis(1-tricyclo[4.4.0.03,8]decanyl)diazene is C1CC2(/N=N/C34CCC5CC3CCC5C4)CC3CCC2CC13.
What is the InChIKey of bis(1-tricyclo[4.4.0.03,8]decanyl)diazene?
The InChIKey is MPGBSAYDGHNYOC-QURGRASLSA-N. The full InChI is InChI=1S/C20H30N2/c1-3-17-9-13-5-7-19(17,11-15(1)13)21-22-20-8-6-14-10-18(20)4-2-16(14)12-20/h13-18H,1-12H2/b22-21+.
What are the key properties of bis(1-tricyclo[4.4.0.03,8]decanyl)diazene?
bis(1-tricyclo[4.4.0.03,8]decanyl)diazene has a molecular weight of 298.47 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tricyclo[4.4.0.03,8]decanyl)diazene is sourced from PubChem (CID 15153628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).