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

C9H16OSi — CID 2757282

IUPAC3-[tert-butyl(dimethyl)silyl]prop-2-ynal
SMILESCC(C)(C)[Si](C)(C)C#CC=O
InChIInChI=1S/C9H16OSi/c1-9(2,3)11(4,5)8-6-7-10/h7H,1-5H3
InChIKeyVZWFIYZKTGGSPN-UHFFFAOYSA-N
MW168.31 g/mol
LogP2.24
Rot. Bonds

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

3-[tert-butyl(dimethyl)silyl]prop-2-ynal (PubChem CID 2757282) has the molecular formula C9H16OSi and a molecular weight of 168.31 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]prop-2-ynal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]prop-2-ynal
PubChem CID2757282
Molecular FormulaC9H16OSi
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name3-[tert-butyl(dimethyl)silyl]prop-2-ynal
SMILESCC(C)(C)[Si](C)(C)C#CC=O
InChIInChI=1S/C9H16OSi/c1-9(2,3)11(4,5)8-6-7-10/h7H,1-5H3
InChIKeyVZWFIYZKTGGSPN-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]prop-2-ynal with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-ynal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]prop-2-ynal (CID 2757282) is 3-[tert-butyl(dimethyl)silyl]prop-2-ynal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]prop-2-ynal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]prop-2-ynal is CC(C)(C)[Si](C)(C)C#CC=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]prop-2-ynal?
The InChIKey is VZWFIYZKTGGSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OSi/c1-9(2,3)11(4,5)8-6-7-10/h7H,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]prop-2-ynal?
3-[tert-butyl(dimethyl)silyl]prop-2-ynal has a molecular weight of 168.31 g/mol, XLogP of 2.24, 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-ynal is sourced from PubChem (CID 2757282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).