tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane

C11H21ClOSi — CID 57266578

IUPACtert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCCCl
InChIInChI=1S/C11H21ClOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h7,9-10H2,1-5H3
InChIKeyXVEAVBYGMZEEOI-UHFFFAOYSA-N
MW232.83 g/mol
LogP3.64
Rot. Bonds3

About tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane

tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane (PubChem CID 57266578) has the molecular formula C11H21ClOSi and a molecular weight of 232.83 g/mol. Its IUPAC name is tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
PubChem CID57266578
Molecular FormulaC11H21ClOSi
Molecular Weight232.83 g/mol
Exact Mass232.11
IUPAC Nametert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC#CCCCl
InChIInChI=1S/C11H21ClOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h7,9-10H2,1-5H3
InChIKeyXVEAVBYGMZEEOI-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.83
LogP ≤ 53.64
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-(5-chloropent-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-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
CID 11472058
5-[tert-butyl(dimethyl)silyl]oxypent-2-ynyl methanesulfonate
CID 57027171
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
CID 14377973
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
lithium 3-[tert-butyl(dimethyl)silyl]oxyprop-1-ynyl-tri(propan-2-yloxy)boranuide
CID 23663481
CID 21344899
CID 21344899
tert-butyl-(7-chlorohepta-3,4-dienoxy)-dimethylsilane
CID 23253894
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
CID 11405579
tert-butyl N-but-3-enyl-N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]carbamate
CID 11360689

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane (CID 57266578) is tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane is CC(C)(C)[Si](C)(C)OCC#CCCCl.
What is the InChIKey of tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane?
The InChIKey is XVEAVBYGMZEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClOSi/c1-11(2,3)14(4,5)13-10-8-6-7-9-12/h7,9-10H2,1-5H3.
What are the key properties of tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane?
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane has a molecular weight of 232.83 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane is sourced from PubChem (CID 57266578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).