[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane

C33H71NO5Si4 — CID 14281434

IUPAC[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CC(O[Si](C)(C)C(C)(C)C)c1cocn1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H71NO5Si4/c1-25(36-40(14,15)30(2,3)4)29(39-43(20,21)33(11,12)13)28(38-42(18,19)32(8,9)10)22-27(26-23-35-24-34-26)37-41(16,17)31(5,6)7/h23-25,27-29H,22H2,1-21H3
InChIKeyMSRWSIZPHOLKIA-UHFFFAOYSA-N
MW674.28 g/mol
LogP11.32
Rot. Bonds13

About [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane

[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane (PubChem CID 14281434) has the molecular formula C33H71NO5Si4 and a molecular weight of 674.28 g/mol. Its IUPAC name is [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane
PubChem CID14281434
Molecular FormulaC33H71NO5Si4
Molecular Weight674.28 g/mol
Exact Mass673.44
IUPAC Name[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane
SMILESCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CC(O[Si](C)(C)C(C)(C)C)c1cocn1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C33H71NO5Si4/c1-25(36-40(14,15)30(2,3)4)29(39-43(20,21)33(11,12)13)28(38-42(18,19)32(8,9)10)22-27(26-23-35-24-34-26)37-41(16,17)31(5,6)7/h23-25,27-29H,22H2,1-21H3
InChIKeyMSRWSIZPHOLKIA-UHFFFAOYSA-N
XLogP11.32
TPSA62.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.28
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane (CID 14281434) is [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane is CC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(CC(O[Si](C)(C)C(C)(C)C)c1cocn1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane?
The InChIKey is MSRWSIZPHOLKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H71NO5Si4/c1-25(36-40(14,15)30(2,3)4)29(39-43(20,21)33(11,12)13)28(38-42(18,19)32(8,9)10)22-27(26-23-35-24-34-26)37-41(16,17)31(5,6)7/h23-25,27-29H,22H2,1-21H3.
What are the key properties of [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane?
[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane has a molecular weight of 674.28 g/mol, XLogP of 11.32, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[2-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-oxazol-4-yl)ethyl]butoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 14281434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).