2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal

C12H24O2Si — CID 134875755

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal
SMILESCC(C)=C(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10(2)11(8-13)9-14-15(6,7)12(3,4)5/h8H,9H2,1-7H3
InChIKeyXZXNNMMVEFTXAP-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds4

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal (PubChem CID 134875755) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal
PubChem CID134875755
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal
SMILESCC(C)=C(C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-10(2)11(8-13)9-14-15(6,7)12(3,4)5/h8H,9H2,1-7H3
InChIKeyXZXNNMMVEFTXAP-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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]-3-methylbut-2-enal?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal (CID 134875755) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal is CC(C)=C(C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal?
The InChIKey is XZXNNMMVEFTXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10(2)11(8-13)9-14-15(6,7)12(3,4)5/h8H,9H2,1-7H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylbut-2-enal has a molecular weight of 228.41 g/mol, XLogP of 3.54, 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]-3-methylbut-2-enal is sourced from PubChem (CID 134875755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).