(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal

C14H30O2Si2 — CID 138968872

IUPAC(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal
SMILESCC(C)(C)[Si](C)(C)OC(/C=C/[Si](C)(C)C)CC=O
InChIInChI=1S/C14H30O2Si2/c1-14(2,3)18(7,8)16-13(9-11-15)10-12-17(4,5)6/h10-13H,9H2,1-8H3/b12-10+
InChIKeyIMIUTLZGCSGSLW-ZRDIBKRKSA-N
MW286.56 g/mol
LogP4.40
Rot. Bonds6

About (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal

(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal (PubChem CID 138968872) has the molecular formula C14H30O2Si2 and a molecular weight of 286.56 g/mol. Its IUPAC name is (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal.

Molecular Properties

Compound Name(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal
PubChem CID138968872
Molecular FormulaC14H30O2Si2
Molecular Weight286.56 g/mol
Exact Mass286.18
IUPAC Name(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal
SMILESCC(C)(C)[Si](C)(C)OC(/C=C/[Si](C)(C)C)CC=O
InChIInChI=1S/C14H30O2Si2/c1-14(2,3)18(7,8)16-13(9-11-15)10-12-17(4,5)6/h10-13H,9H2,1-8H3/b12-10+
InChIKeyIMIUTLZGCSGSLW-ZRDIBKRKSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 54.40
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal?
The IUPAC name of (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal (CID 138968872) is (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal.
What is the SMILES notation for (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal?
The canonical SMILES for (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal is CC(C)(C)[Si](C)(C)OC(/C=C/[Si](C)(C)C)CC=O.
What is the InChIKey of (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal?
The InChIKey is IMIUTLZGCSGSLW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H30O2Si2/c1-14(2,3)18(7,8)16-13(9-11-15)10-12-17(4,5)6/h10-13H,9H2,1-8H3/b12-10+.
What are the key properties of (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal?
(E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal has a molecular weight of 286.56 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-enal is sourced from PubChem (CID 138968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).