tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane

C12H27ClO2Si — CID 123652113

IUPACtert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane
SMILESCC(C)OCC(CCl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27ClO2Si/c1-10(2)14-9-11(8-13)15-16(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyXRFQWUGENJQOAG-UHFFFAOYSA-N
MW266.88 g/mol
LogP4.04
Rot. Bonds6

About tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane

tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane (PubChem CID 123652113) has the molecular formula C12H27ClO2Si and a molecular weight of 266.88 g/mol. Its IUPAC name is tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane
PubChem CID123652113
Molecular FormulaC12H27ClO2Si
Molecular Weight266.88 g/mol
Exact Mass266.15
IUPAC Nametert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane
SMILESCC(C)OCC(CCl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H27ClO2Si/c1-10(2)14-9-11(8-13)15-16(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyXRFQWUGENJQOAG-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.88
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-4-chlorobutanenitrile
CID 5097328
[(2S)-1-chloro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxy-trimethylsilane
CID 153482913
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
tert-butyl-[(2S)-1-iodo-3-tri(propan-2-yl)silyloxypropan-2-yl]oxy-dimethylsilane
CID 45101159
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
tert-butyl-dimethyl-oct-5-yn-3-yloxysilane
CID 88749377
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
4-[tert-butyl(dimethyl)silyl]oxyheptane-2,6-dione
CID 123783100
lithium tert-butyl-dimethyl-[(2R)-pentan-2-yl]oxysilane
CID 177428939
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane (CID 123652113) is tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane is CC(C)OCC(CCl)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane?
The InChIKey is XRFQWUGENJQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClO2Si/c1-10(2)14-9-11(8-13)15-16(6,7)12(3,4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane?
tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane has a molecular weight of 266.88 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-chloro-3-propan-2-yloxypropan-2-yl)oxy-dimethylsilane is sourced from PubChem (CID 123652113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).