tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane

C30H64O4Si2 — CID 58822534

IUPACtert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane
SMILESCOC/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C30H64O4Si2/c1-22(19-18-20-31-12)27(33-35(14,15)29(6,7)8)23(2)21-24(3)28(25(4)26(5)32-13)34-36(16,17)30(9,10)11/h18-19,22-28H,20-21H2,1-17H3/b19-18-
InChIKeyKYEAKCZRUVDDJS-HNENSFHCSA-N
MW545.01 g/mol
LogP8.94
Rot. Bonds15

About tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane

tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane (PubChem CID 58822534) has the molecular formula C30H64O4Si2 and a molecular weight of 545.01 g/mol. Its IUPAC name is tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane
PubChem CID58822534
Molecular FormulaC30H64O4Si2
Molecular Weight545.01 g/mol
Exact Mass544.43
IUPAC Nametert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane
SMILESCOC/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC
InChIInChI=1S/C30H64O4Si2/c1-22(19-18-20-31-12)27(33-35(14,15)29(6,7)8)23(2)21-24(3)28(25(4)26(5)32-13)34-36(16,17)30(9,10)11/h18-19,22-28H,20-21H2,1-17H3/b19-18-
InChIKeyKYEAKCZRUVDDJS-HNENSFHCSA-N
XLogP8.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.01
LogP ≤ 58.94
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-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane (CID 58822534) is tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane is COC/C=C\C(C)C(O[Si](C)(C)C(C)(C)C)C(C)CC(C)C(O[Si](C)(C)C(C)(C)C)C(C)C(C)OC.
What is the InChIKey of tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane?
The InChIKey is KYEAKCZRUVDDJS-HNENSFHCSA-N. The full InChI is InChI=1S/C30H64O4Si2/c1-22(19-18-20-31-12)27(33-35(14,15)29(6,7)8)23(2)21-24(3)28(25(4)26(5)32-13)34-36(16,17)30(9,10)11/h18-19,22-28H,20-21H2,1-17H3/b19-18-.
What are the key properties of tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane?
tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane has a molecular weight of 545.01 g/mol, XLogP of 8.94, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-9-[tert-butyl(dimethyl)silyl]oxy-1,11-dimethoxy-4,6,8,10-tetramethyldodec-2-en-5-yl]oxy-dimethylsilane is sourced from PubChem (CID 58822534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).