tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane

C39H70O7Si — CID 76585895

About tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane

tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane (PubChem CID 76585895) has the molecular formula C39H70O7Si and a molecular weight of 679.07 g/mol. Its IUPAC name is tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane
• PubChem CID: 76585895
• Molecular Formula: C39H70O7Si
• Molecular Weight: 679.07 g/mol
• Exact Mass: 678.49
• IUPAC Name: tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane
• SMILES: C#CCCC(CCC#CC(OCOC)C1CCC(C2CCC(C(CCCCCCCCCC)OCOC)O2)O1)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C39H70O7Si/c1-10-12-14-15-16-17-18-19-24-33(42-30-40-6)35-26-28-37(44-35)38-29-27-36(45-38)34(43-31-41-7)25-21-20-23-32(22-13-11-2)46-47(8,9)39(3,4)5/h2,32-38H,10,12-20,22-24,26-31H2,1,3-9H3
• InChIKey: UFRKCMNHLCBYDR-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.07
LogP ≤ 5	9.18
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': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane (CID 76585895) is tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane is C#CCCC(CCC#CC(OCOC)C1CCC(C2CCC(C(CCCCCCCCCC)OCOC)O2)O1)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane?

The InChIKey is UFRKCMNHLCBYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H70O7Si/c1-10-12-14-15-16-17-18-19-24-33(42-30-40-6)35-26-28-37(44-35)38-29-27-36(45-38)34(43-31-41-7)25-21-20-23-32(22-13-11-2)46-47(8,9)39(3,4)5/h2,32-38H,10,12-20,22-24,26-31H2,1,3-9H3.

What are the key properties of tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane?

tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane has a molecular weight of 679.07 g/mol, XLogP of 9.18, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[10-(methoxymethoxy)-10-[5-[5-[1-(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]deca-1,8-diyn-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 76585895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).