3-[benzyl(dimethyl)silyl]prop-2-ynal

C12H14OSi — CID 44556926

IUPAC3-[benzyl(dimethyl)silyl]prop-2-ynal
SMILESC[Si](C)(C#CC=O)Cc1ccccc1
InChIInChI=1S/C12H14OSi/c1-14(2,10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-9H,11H2,1-2H3
InChIKeyCCQRBEDHOQSSPX-UHFFFAOYSA-N
MW202.33 g/mol
LogP2.22
Rot. Bonds2

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

3-[benzyl(dimethyl)silyl]prop-2-ynal (PubChem CID 44556926) has the molecular formula C12H14OSi and a molecular weight of 202.33 g/mol. Its IUPAC name is 3-[benzyl(dimethyl)silyl]prop-2-ynal.

Molecular Properties

Compound Name3-[benzyl(dimethyl)silyl]prop-2-ynal
PubChem CID44556926
Molecular FormulaC12H14OSi
Molecular Weight202.33 g/mol
Exact Mass202.08
IUPAC Name3-[benzyl(dimethyl)silyl]prop-2-ynal
SMILESC[Si](C)(C#CC=O)Cc1ccccc1
InChIInChI=1S/C12H14OSi/c1-14(2,10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-9H,11H2,1-2H3
InChIKeyCCQRBEDHOQSSPX-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 52.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(dimethyl)silyl]prop-2-ynal?
The IUPAC name of 3-[benzyl(dimethyl)silyl]prop-2-ynal (CID 44556926) is 3-[benzyl(dimethyl)silyl]prop-2-ynal.
What is the SMILES notation for 3-[benzyl(dimethyl)silyl]prop-2-ynal?
The canonical SMILES for 3-[benzyl(dimethyl)silyl]prop-2-ynal is C[Si](C)(C#CC=O)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(dimethyl)silyl]prop-2-ynal?
The InChIKey is CCQRBEDHOQSSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OSi/c1-14(2,10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-9H,11H2,1-2H3.
What are the key properties of 3-[benzyl(dimethyl)silyl]prop-2-ynal?
3-[benzyl(dimethyl)silyl]prop-2-ynal has a molecular weight of 202.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(dimethyl)silyl]prop-2-ynal is sourced from PubChem (CID 44556926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).