tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane

C30H66O4Si2 — CID 58822549

IUPACtert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane
SMILESCCCOCC(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/C30H66O4Si2/c1-18-19-32-21-24(4)27(33-35(14,15)29(7,8)9)22(2)20-23(3)28(25(5)26(6)31-13)34-36(16,17)30(10,11)12/h22-28H,18-21H2,1-17H3
InChIKeyXOWPRUZFSIWUSB-UHFFFAOYSA-N
MW547.03 g/mol
LogP9.16
Rot. Bonds16

About tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane

tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane (PubChem CID 58822549) has the molecular formula C30H66O4Si2 and a molecular weight of 547.03 g/mol. Its IUPAC name is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane
PubChem CID58822549
Molecular FormulaC30H66O4Si2
Molecular Weight547.03 g/mol
Exact Mass546.45
IUPAC Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane
SMILESCCCOCC(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/C30H66O4Si2/c1-18-19-32-21-24(4)27(33-35(14,15)29(7,8)9)22(2)20-23(3)28(25(5)26(6)31-13)34-36(16,17)30(10,11)12/h22-28H,18-21H2,1-17H3
InChIKeyXOWPRUZFSIWUSB-UHFFFAOYSA-N
XLogP9.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.03
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane (CID 58822549) is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane is CCCOCC(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-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane?
The InChIKey is XOWPRUZFSIWUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O4Si2/c1-18-19-32-21-24(4)27(33-35(14,15)29(7,8)9)22(2)20-23(3)28(25(5)26(6)31-13)34-36(16,17)30(10,11)12/h22-28H,18-21H2,1-17H3.
What are the key properties of tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane?
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane has a molecular weight of 547.03 g/mol, XLogP of 9.16, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-methoxybutan-2-yl)-2,4,6-trimethyl-7-propoxyheptoxy]-dimethylsilane is sourced from PubChem (CID 58822549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).