tert-butyl-(1-chloropropoxy)-dimethylsilane

C9H21ClOSi — CID 23216108

IUPACtert-butyl-(1-chloropropoxy)-dimethylsilane
SMILESCCC(Cl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H21ClOSi/c1-7-8(10)11-12(5,6)9(2,3)4/h8H,7H2,1-6H3
InChIKeySGTWGTFAUVNQHX-UHFFFAOYSA-N
MW208.80 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl-(1-chloropropoxy)-dimethylsilane

tert-butyl-(1-chloropropoxy)-dimethylsilane (PubChem CID 23216108) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is tert-butyl-(1-chloropropoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-chloropropoxy)-dimethylsilane
PubChem CID23216108
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Nametert-butyl-(1-chloropropoxy)-dimethylsilane
SMILESCCC(Cl)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H21ClOSi/c1-7-8(10)11-12(5,6)9(2,3)4/h8H,7H2,1-6H3
InChIKeySGTWGTFAUVNQHX-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-dimethyl-pentan-3-yloxysilane;molecular hydrogen
CID 175100098
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethylbutan-1-ol
CID 10752078
tert-butyl-dimethyl-[(1S)-1-[(2R)-oxiran-2-yl]propoxy]silane
CID 87355723
tert-butyl-dimethyl-[1-(oxiran-2-yl)propoxy]silane
CID 87130449
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
tert-butyl-dimethyl-oct-5-yn-3-yloxysilane
CID 88749377
1-chloroethoxy-(1-chloropropoxy)-dihydroxysilane
CID 174674593

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-chloropropoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-chloropropoxy)-dimethylsilane (CID 23216108) is tert-butyl-(1-chloropropoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-chloropropoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-chloropropoxy)-dimethylsilane is CCC(Cl)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-chloropropoxy)-dimethylsilane?
The InChIKey is SGTWGTFAUVNQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-7-8(10)11-12(5,6)9(2,3)4/h8H,7H2,1-6H3.
What are the key properties of tert-butyl-(1-chloropropoxy)-dimethylsilane?
tert-butyl-(1-chloropropoxy)-dimethylsilane has a molecular weight of 208.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-chloropropoxy)-dimethylsilane is sourced from PubChem (CID 23216108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).