(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal

C11H22O2Si — CID 134855314

IUPAC(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal
SMILESC/C(C=O)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h7,9H,8H2,1-6H3/b10-7-
InChIKeyNJBSCVOCUDEUBA-YFHOEESVSA-N
MW214.38 g/mol
LogP3.15
Rot. Bonds4

About (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal

(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal (PubChem CID 134855314) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal.

Molecular Properties

Compound Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal
PubChem CID134855314
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal
SMILESC/C(C=O)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O2Si/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h7,9H,8H2,1-6H3/b10-7-
InChIKeyNJBSCVOCUDEUBA-YFHOEESVSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.15
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 (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal?
The IUPAC name of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal (CID 134855314) is (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal.
What is the SMILES notation for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal?
The canonical SMILES for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal is C/C(C=O)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal?
The InChIKey is NJBSCVOCUDEUBA-YFHOEESVSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-10(9-12)7-8-13-14(5,6)11(2,3)4/h7,9H,8H2,1-6H3/b10-7-.
What are the key properties of (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal?
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal has a molecular weight of 214.38 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-2-enal is sourced from PubChem (CID 134855314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).