2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal

C10H20O2Si — CID 57413402

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal
SMILESC=C(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h7H,1,8H2,2-6H3
InChIKeyNJGNLWUAFISPEV-UHFFFAOYSA-N
MW200.35 g/mol
LogP2.76
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal

2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal (PubChem CID 57413402) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal
PubChem CID57413402
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal
SMILESC=C(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h7H,1,8H2,2-6H3
InChIKeyNJGNLWUAFISPEV-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.76
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal (CID 57413402) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal is C=C(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal?
The InChIKey is NJGNLWUAFISPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(7-11)8-12-13(5,6)10(2,3)4/h7H,1,8H2,2-6H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal has a molecular weight of 200.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enal is sourced from PubChem (CID 57413402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).