1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane

C30H70O7Si6 — CID 102215529

About 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane

1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane (PubChem CID 102215529) has the molecular formula C30H70O7Si6 and a molecular weight of 711.40 g/mol. Its IUPAC name is 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane.

Molecular Properties

• Compound Name: 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane
• PubChem CID: 102215529
• Molecular Formula: C30H70O7Si6
• Molecular Weight: 711.40 g/mol
• Exact Mass: 710.37
• IUPAC Name: 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane
• SMILES: CC(C)[Si]12O[Si](C(C)C)(O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O2
• InChI: InChI=1S/C30H70O7Si6/c1-21(2)38(22(3)4)31-39(23(5)6,24(7)8)34-43(30(19)20)36-41(27(13)14,28(15)16)32-40(25(9)10,26(11)12)35-42(33-38,37-43)29(17)18/h21-30H,1-20H3
• InChIKey: VGHJNONYNLTCIX-UHFFFAOYSA-N
• XLogP: 10.88
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.40
LogP ≤ 5	10.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?

The IUPAC name of 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane (CID 102215529) is 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane.

What is the SMILES notation for 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?

The canonical SMILES for 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane is CC(C)[Si]12O[Si](C(C)C)(O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O1)O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O2.

What is the InChIKey of 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?

The InChIKey is VGHJNONYNLTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70O7Si6/c1-21(2)38(22(3)4)31-39(23(5)6,24(7)8)34-43(30(19)20)36-41(27(13)14,28(15)16)32-40(25(9)10,26(11)12)35-42(33-38,37-43)29(17)18/h21-30H,1-20H3.

What are the key properties of 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane?

1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane has a molecular weight of 711.40 g/mol, XLogP of 10.88, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,3,5,5,7,9,9,11,11-deca(propan-2-yl)-2,4,6,8,10,12,13-heptaoxa-1,3,5,7,9,11-hexasilabicyclo[5.5.1]tridecane is sourced from PubChem (CID 102215529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).