4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal

C18H40O3Si2 — CID 14293483

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal
SMILESCC(C)(C)[Si](C)(C)OCCC(C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-13-11-16(15-19)12-14-21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeyRTECXVSXONISBE-UHFFFAOYSA-N
MW360.69 g/mol
LogP5.63
Rot. Bonds9

About 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal

4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal (PubChem CID 14293483) has the molecular formula C18H40O3Si2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal
PubChem CID14293483
Molecular FormulaC18H40O3Si2
Molecular Weight360.69 g/mol
Exact Mass360.25
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal
SMILESCC(C)(C)[Si](C)(C)OCCC(C=O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-13-11-16(15-19)12-14-21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3
InChIKeyRTECXVSXONISBE-UHFFFAOYSA-N
XLogP5.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.69
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal (CID 14293483) is 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal is CC(C)(C)[Si](C)(C)OCCC(C=O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal?
The InChIKey is RTECXVSXONISBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O3Si2/c1-17(2,3)22(7,8)20-13-11-16(15-19)12-14-21-23(9,10)18(4,5)6/h15-16H,11-14H2,1-10H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal?
4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal has a molecular weight of 360.69 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]butanal is sourced from PubChem (CID 14293483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).