tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane

C35H70O3SiSn — CID 134949104

About tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane

tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane (PubChem CID 134949104) has the molecular formula C35H70O3SiSn and a molecular weight of 685.74 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane
• PubChem CID: 134949104
• Molecular Formula: C35H70O3SiSn
• Molecular Weight: 685.74 g/mol
• Exact Mass: 686.41
• IUPAC Name: tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane
• SMILES: CCCC[Sn](/C=C\[C@@H]1OC(C)(C)O[C@@H]([C@H](C)/C(C)=C/CCCO[Si](C)(C)C(C)(C)C)[C@@H]1C)(CCCC)CCCC
• InChI: InChI=1S/C23H43O3Si.3C4H9.Sn/c1-12-20-19(4)21(26-23(8,9)25-20)18(3)17(2)15-13-14-16-24-27(10,11)22(5,6)7;3*1-3-4-2;/h1,12,15,18-21H,13-14,16H2,2-11H3;3*1,3-4H2,2H3;/b12-1?,17-15+;;;;/t18-,19-,20+,21+;;;;/m1..../s1
• InChIKey: AJHRYIDKDNOJGI-YWGQYOCNSA-N
• XLogP: 11.47
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.74
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane (CID 134949104) is tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane is CCCC[Sn](/C=C\[C@@H]1OC(C)(C)O[C@@H]([C@H](C)/C(C)=C/CCCO[Si](C)(C)C(C)(C)C)[C@@H]1C)(CCCC)CCCC.

What is the InChIKey of tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane?

The InChIKey is AJHRYIDKDNOJGI-YWGQYOCNSA-N. The full InChI is InChI=1S/C23H43O3Si.3C4H9.Sn/c1-12-20-19(4)21(26-23(8,9)25-20)18(3)17(2)15-13-14-16-24-27(10,11)22(5,6)7;3*1-3-4-2;/h1,12,15,18-21H,13-14,16H2,2-11H3;3*1,3-4H2,2H3;/b12-1?,17-15+;;;;/t18-,19-,20+,21+;;;;/m1..../s1.

What are the key properties of tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane?

tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane has a molecular weight of 685.74 g/mol, XLogP of 11.47, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(E,6R)-5-methyl-6-[(4S,5S,6R)-2,2,5-trimethyl-6-[(Z)-2-tributylstannylethenyl]-1,3-dioxan-4-yl]hept-4-enoxy]silane is sourced from PubChem (CID 134949104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).