3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride

C9H15ClOSi — CID 102409126

IUPAC3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride
SMILESCC(C)(C)[Si](C)(C)C#CC(=O)Cl
InChIInChI=1S/C9H15ClOSi/c1-9(2,3)12(4,5)7-6-8(10)11/h1-5H3
InChIKeyFFUXPPNCNUYJEP-UHFFFAOYSA-N
MW202.76 g/mol
LogP2.80
Rot. Bonds

About 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride

3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride (PubChem CID 102409126) has the molecular formula C9H15ClOSi and a molecular weight of 202.76 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride
PubChem CID102409126
Molecular FormulaC9H15ClOSi
Molecular Weight202.76 g/mol
Exact Mass202.06
IUPAC Name3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride
SMILESCC(C)(C)[Si](C)(C)C#CC(=O)Cl
InChIInChI=1S/C9H15ClOSi/c1-9(2,3)12(4,5)7-6-8(10)11/h1-5H3
InChIKeyFFUXPPNCNUYJEP-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.76
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride (CID 102409126) is 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride is CC(C)(C)[Si](C)(C)C#CC(=O)Cl.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride?
The InChIKey is FFUXPPNCNUYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClOSi/c1-9(2,3)12(4,5)7-6-8(10)11/h1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride?
3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride has a molecular weight of 202.76 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]prop-2-ynoyl chloride is sourced from PubChem (CID 102409126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).