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

C9H16O2Si — CID 87263832

IUPAC3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal
SMILESCC(C)(C)[Si](C)(C)OC#CC=O
InChIInChI=1S/C9H16O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,1-5H3
InChIKeyGMZCUIKHYLWNBO-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.17
Rot. Bonds1

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

3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal (PubChem CID 87263832) has the molecular formula C9H16O2Si and a molecular weight of 184.31 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal
PubChem CID87263832
Molecular FormulaC9H16O2Si
Molecular Weight184.31 g/mol
Exact Mass184.09
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal
SMILESCC(C)(C)[Si](C)(C)OC#CC=O
InChIInChI=1S/C9H16O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,1-5H3
InChIKeyGMZCUIKHYLWNBO-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal (CID 87263832) is 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal is CC(C)(C)[Si](C)(C)OC#CC=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal?
The InChIKey is GMZCUIKHYLWNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal?
3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal has a molecular weight of 184.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxyprop-2-ynal is sourced from PubChem (CID 87263832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).