4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol

C20H44O4Si — CID 10667273

IUPAC4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)CCOCCOCCC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si/c1-18(2,3)25(8,9)24-17-20(6,7)11-13-23-15-14-22-12-10-19(4,5)16-21/h21H,10-17H2,1-9H3
InChIKeyMOAULAOGNBOCNE-UHFFFAOYSA-N
MW376.65 g/mol
LogP4.87
Rot. Bonds13

About 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol

4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol (PubChem CID 10667273) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol
PubChem CID10667273
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Name4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol
SMILESCC(C)(CO)CCOCCOCCC(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O4Si/c1-18(2,3)25(8,9)24-17-20(6,7)11-13-23-15-14-22-12-10-19(4,5)16-21/h21H,10-17H2,1-9H3
InChIKeyMOAULAOGNBOCNE-UHFFFAOYSA-N
XLogP4.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.65
LogP ≤ 54.87
H-Bond Donors ≤ 51
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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Related Compounds

5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3,3-dimethylpentan-1-imine
CID 141301688
5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3,3-dimethylpentanal
CID 86640420
tert-butyl-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-dimethylsilane;2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 158402595
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
CID 21261679
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 86629066
2-butyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hexan-1-ol
CID 59925784
2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxy-tert-butyl-dimethylsilane
CID 91254063
2-[2-(2-bromoethoxy)ethoxy]ethoxy-tert-butyl-dimethylsilane
CID 18469819
7-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylheptan-1-ol
CID 11426254
6-(5-hydroxy-4,4-dimethylpentoxy)-2,2-dimethylhexan-1-ol
CID 11470973
2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]acetic acid
CID 170898180

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol?
The IUPAC name of 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol (CID 10667273) is 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol?
The canonical SMILES for 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol is CC(C)(CO)CCOCCOCCC(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol?
The InChIKey is MOAULAOGNBOCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si/c1-18(2,3)25(8,9)24-17-20(6,7)11-13-23-15-14-22-12-10-19(4,5)16-21/h21H,10-17H2,1-9H3.
What are the key properties of 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol?
4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol has a molecular weight of 376.65 g/mol, XLogP of 4.87, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutoxy]ethoxy]-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 10667273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).