[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane

C34H70O3Si3 — CID 134960457

About [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane

[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 134960457) has the molecular formula C34H70O3Si3 and a molecular weight of 611.19 g/mol. Its IUPAC name is [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane
• PubChem CID: 134960457
• Molecular Formula: C34H70O3Si3
• Molecular Weight: 611.19 g/mol
• Exact Mass: 610.46
• IUPAC Name: [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane
• SMILES: C=CCC(=C)C[C@H](C/C(C)=C/[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C34H70O3Si3/c1-19-22-28(2)25-31(37-40(17,18)34(10,11)12)27-29(3)26-30(36-39(15,16)33(7,8)9)23-20-21-24-35-38(13,14)32(4,5)6/h19,26,30-31H,1-2,20-25,27H2,3-18H3/b29-26+/t30-,31-/m1/s1
• InChIKey: NXCVWHDMKVXYEN-VUHFHDFDSA-N
• XLogP: 11.82
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.19
LogP ≤ 5	11.82
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 [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane?

The IUPAC name of [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane (CID 134960457) is [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane.

What is the SMILES notation for [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane?

The canonical SMILES for [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane is C=CCC(=C)C[C@H](C/C(C)=C/[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane?

The InChIKey is NXCVWHDMKVXYEN-VUHFHDFDSA-N. The full InChI is InChI=1S/C34H70O3Si3/c1-19-22-28(2)25-31(37-40(17,18)34(10,11)12)27-29(3)26-30(36-39(15,16)33(7,8)9)23-20-21-24-35-38(13,14)32(4,5)6/h19,26,30-31H,1-2,20-25,27H2,3-18H3/b29-26+/t30-,31-/m1/s1.

What are the key properties of [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane?

[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 611.19 g/mol, XLogP of 11.82, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 134960457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).