(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal

C10H20O2Si — CID 11622522

IUPAC(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal
SMILESC/C=C(/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-9(8-11)12-13(5,6)10(2,3)4/h7-8H,1-6H3/b9-7-
InChIKeyWFMXZMQEPSAPGJ-CLFYSBASSA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds3

About (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal

(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal (PubChem CID 11622522) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal.

Molecular Properties

Compound Name(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal
PubChem CID11622522
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal
SMILESC/C=C(/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-9(8-11)12-13(5,6)10(2,3)4/h7-8H,1-6H3/b9-7-
InChIKeyWFMXZMQEPSAPGJ-CLFYSBASSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal?
The IUPAC name of (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal (CID 11622522) is (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal.
What is the SMILES notation for (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal?
The canonical SMILES for (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal is C/C=C(/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal?
The InChIKey is WFMXZMQEPSAPGJ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-9(8-11)12-13(5,6)10(2,3)4/h7-8H,1-6H3/b9-7-.
What are the key properties of (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal?
(Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal has a molecular weight of 200.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[tert-butyl(dimethyl)silyl]oxybut-2-enal is sourced from PubChem (CID 11622522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).