tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane

C11H21ClO2Si — CID 14320967

IUPACtert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCOCCl
InChIInChI=1S/C11H21ClO2Si/c1-11(2,3)15(4,5)14-9-7-6-8-13-10-12/h8-10H2,1-5H3
InChIKeyNDVKJBWGTRQTLH-UHFFFAOYSA-N
MW248.83 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane

tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane (PubChem CID 14320967) has the molecular formula C11H21ClO2Si and a molecular weight of 248.83 g/mol. Its IUPAC name is tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
PubChem CID14320967
Molecular FormulaC11H21ClO2Si
Molecular Weight248.83 g/mol
Exact Mass248.10
IUPAC Nametert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCOCCl
InChIInChI=1S/C11H21ClO2Si/c1-11(2,3)15(4,5)14-9-7-6-8-13-10-12/h8-10H2,1-5H3
InChIKeyNDVKJBWGTRQTLH-UHFFFAOYSA-N
XLogP3.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.83
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
CID 14377973
lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide
CID 23663481
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
CID 11472058
3-(2-bromo-4-chlorophenyl)prop-2-ynoxy-tert-butyl-dimethylsilane
CID 155571683
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal
CID 10778199
tert-butyl-dimethyl-[[4-(tridec-2-ynoxymethyl)phenyl]methoxy]silane
CID 10550611
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
[5-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoropent-3-yn-2-yl] methanesulfonate
CID 11187078
CID 21344899
CID 21344899

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane (CID 14320967) is tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CCOCCl.
What is the InChIKey of tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane?
The InChIKey is NDVKJBWGTRQTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2Si/c1-11(2,3)15(4,5)14-9-7-6-8-13-10-12/h8-10H2,1-5H3.
What are the key properties of tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane?
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane has a molecular weight of 248.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 14320967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).