tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane

C36H56O4Si2 — CID 11467596

IUPACtert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC1CCC2(C=CCCO2)O1
InChIInChI=1S/C36H56O4Si2/c1-8-41(9-2,10-3)40-34(30(4)29-31-23-26-36(39-31)25-17-18-27-37-36)24-28-38-42(35(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-17,19-22,25,30-31,34H,8-10,18,23-24,26-29H2,1-7H3/t30-,31?,34-,36?/m1/s1
InChIKeyVGEKCNAPVHFISJ-NSYQOPEJSA-N
MW609.01 g/mol
LogP8.22
Rot. Bonds14

About tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane

tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane (PubChem CID 11467596) has the molecular formula C36H56O4Si2 and a molecular weight of 609.01 g/mol. Its IUPAC name is tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane
PubChem CID11467596
Molecular FormulaC36H56O4Si2
Molecular Weight609.01 g/mol
Exact Mass608.37
IUPAC Nametert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane
SMILESCC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC1CCC2(C=CCCO2)O1
InChIInChI=1S/C36H56O4Si2/c1-8-41(9-2,10-3)40-34(30(4)29-31-23-26-36(39-31)25-17-18-27-37-36)24-28-38-42(35(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-17,19-22,25,30-31,34H,8-10,18,23-24,26-29H2,1-7H3/t30-,31?,34-,36?/m1/s1
InChIKeyVGEKCNAPVHFISJ-NSYQOPEJSA-N
XLogP8.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.01
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane (CID 11467596) is tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane is CC[Si](CC)(CC)O[C@H](CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)CC1CCC2(C=CCCO2)O1.
What is the InChIKey of tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane?
The InChIKey is VGEKCNAPVHFISJ-NSYQOPEJSA-N. The full InChI is InChI=1S/C36H56O4Si2/c1-8-41(9-2,10-3)40-34(30(4)29-31-23-26-36(39-31)25-17-18-27-37-36)24-28-38-42(35(5,6)7,32-19-13-11-14-20-32)33-21-15-12-16-22-33/h11-17,19-22,25,30-31,34H,8-10,18,23-24,26-29H2,1-7H3/t30-,31?,34-,36?/m1/s1.
What are the key properties of tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane?
tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane has a molecular weight of 609.01 g/mol, XLogP of 8.22, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R)-5-(1,10-dioxaspiro[4.5]dec-6-en-2-yl)-4-methyl-3-triethylsilyloxypentoxy]-diphenylsilane is sourced from PubChem (CID 11467596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).