tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane

C34H68O7Si — CID 24859896

About tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane

tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane (PubChem CID 24859896) has the molecular formula C34H68O7Si and a molecular weight of 617.00 g/mol. Its IUPAC name is tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane.

Molecular Properties

• Compound Name: tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane
• PubChem CID: 24859896
• Molecular Formula: C34H68O7Si
• Molecular Weight: 617.00 g/mol
• Exact Mass: 616.47
• IUPAC Name: tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane
• SMILES: C=CCCC[C@H](C[C@H](OCOC)[C@H](C)[C@@H](/C=C(\C)C[C@@H](CCC)OCOC)OCOC)O[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C34H68O7Si/c1-14-16-17-19-32(41-42(26(3)4,27(5)6)28(7)8)22-34(40-25-37-13)30(10)33(39-24-36-12)21-29(9)20-31(18-15-2)38-23-35-11/h14,21,26-28,30-34H,1,15-20,22-25H2,2-13H3/b29-21+/t30-,31-,32-,33-,34+/m1/s1
• InChIKey: GSGWHUGWQNKLON-KEBQMIAWSA-N
• XLogP: 9.03
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 27
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.00
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane?

The IUPAC name of tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane (CID 24859896) is tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane.

What is the SMILES notation for tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane?

The canonical SMILES for tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane is C=CCCC[C@H](C[C@H](OCOC)[C@H](C)[C@@H](/C=C(\C)C[C@@H](CCC)OCOC)OCOC)O[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane?

The InChIKey is GSGWHUGWQNKLON-KEBQMIAWSA-N. The full InChI is InChI=1S/C34H68O7Si/c1-14-16-17-19-32(41-42(26(3)4,27(5)6)28(7)8)22-34(40-25-37-13)30(10)33(39-24-36-12)21-29(9)20-31(18-15-2)38-23-35-11/h14,21,26-28,30-34H,1,15-20,22-25H2,2-13H3/b29-21+/t30-,31-,32-,33-,34+/m1/s1.

What are the key properties of tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane?

tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane has a molecular weight of 617.00 g/mol, XLogP of 9.03, 27 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tri(propan-2-yl)-[(6R,8S,9S,10R,11E,14R)-8,10,14-tris(methoxymethoxy)-9,12-dimethylheptadeca-1,11-dien-6-yl]oxysilane is sourced from PubChem (CID 24859896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).