2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane

C32H60N8O2Si — CID 173152366

About 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane

2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane (PubChem CID 173152366) has the molecular formula C32H60N8O2Si and a molecular weight of 616.97 g/mol. Its IUPAC name is 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane.

Molecular Properties

• Compound Name: 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane
• PubChem CID: 173152366
• Molecular Formula: C32H60N8O2Si
• Molecular Weight: 616.97 g/mol
• Exact Mass: 616.46
• IUPAC Name: 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane
• SMILES: OC1CCC2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C1O)C1CCCCC61)C1CCCCC51)C1CCCCC41.[SiH4]
• InChI: InChI=1S/C32H56N8O2.H4Si/c41-22-14-13-21-23(24(22)42)32-39-30-20-12-6-5-11-19(20)28(37-30)35-26-16-8-2-1-7-15(16)25(33-26)34-27-17-9-3-4-10-18(17)29(36-27)38-31(21)40-32;/h15-42H,1-14H2;1H4
• InChIKey: ZFRFQRVRMMIUNG-UHFFFAOYSA-N
• XLogP: -0.90
• TPSA: 136.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.97
LogP ≤ 5	-0.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane?

The IUPAC name of 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane (CID 173152366) is 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane.

What is the SMILES notation for 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane?

The canonical SMILES for 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane is OC1CCC2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C1O)C1CCCCC61)C1CCCCC51)C1CCCCC41.[SiH4].

What is the InChIKey of 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane?

The InChIKey is ZFRFQRVRMMIUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N8O2.H4Si/c41-22-14-13-21-23(24(22)42)32-39-30-20-12-6-5-11-19(20)28(37-30)35-26-16-8-2-1-7-15(16)25(33-26)34-27-17-9-3-4-10-18(17)29(36-27)38-31(21)40-32;/h15-42H,1-14H2;1H4.

What are the key properties of 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane?

2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane has a molecular weight of 616.97 g/mol, XLogP of -0.90, 0 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane-5,6-diol;silane is sourced from PubChem (CID 173152366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).