5-[tert-butyl(dimethyl)silyl]-5-oxopentanal

C11H22O2Si — CID 87383319

IUPAC5-[tert-butyl(dimethyl)silyl]-5-oxopentanal
SMILESCC(C)(C)[Si](C)(C)C(=O)CCCC=O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)10(13)8-6-7-9-12/h9H,6-8H2,1-5H3
InChIKeyGZEYMNJBFXHZDV-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.97
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal

5-[tert-butyl(dimethyl)silyl]-5-oxopentanal (PubChem CID 87383319) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]-5-oxopentanal
PubChem CID87383319
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name5-[tert-butyl(dimethyl)silyl]-5-oxopentanal
SMILESCC(C)(C)[Si](C)(C)C(=O)CCCC=O
InChIInChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)10(13)8-6-7-9-12/h9H,6-8H2,1-5H3
InChIKeyGZEYMNJBFXHZDV-UHFFFAOYSA-N
XLogP2.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal (CID 87383319) is 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal is CC(C)(C)[Si](C)(C)C(=O)CCCC=O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal?
The InChIKey is GZEYMNJBFXHZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-11(2,3)14(4,5)10(13)8-6-7-9-12/h9H,6-8H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal?
5-[tert-butyl(dimethyl)silyl]-5-oxopentanal has a molecular weight of 214.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]-5-oxopentanal is sourced from PubChem (CID 87383319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).