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

C9H18O2Si — CID 134880868

IUPAC(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
SMILESCC(C)(C)[Si](C)(C)O/C=C\C=O
InChIInChI=1S/C9H18O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H,1-5H3/b8-6-
InChIKeyISMYXLGQDSIZOM-VURMDHGXSA-N
MW186.33 g/mol
LogP2.72
Rot. Bonds3

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

(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal (PubChem CID 134880868) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal.

Molecular Properties

Compound Name(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
PubChem CID134880868
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Name(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal
SMILESCC(C)(C)[Si](C)(C)O/C=C\C=O
InChIInChI=1S/C9H18O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H,1-5H3/b8-6-
InChIKeyISMYXLGQDSIZOM-VURMDHGXSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.72
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)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
The IUPAC name of (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal (CID 134880868) is (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal.
What is the SMILES notation for (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
The canonical SMILES for (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal is CC(C)(C)[Si](C)(C)O/C=C\C=O.
What is the InChIKey of (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
The InChIKey is ISMYXLGQDSIZOM-VURMDHGXSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H,1-5H3/b8-6-.
What are the key properties of (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal?
(Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal has a molecular weight of 186.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[tert-butyl(dimethyl)silyl]oxyprop-2-enal is sourced from PubChem (CID 134880868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).