2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal

C29H36O3Si — CID 22345545

IUPAC2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal
SMILESCC(C)(C=O)Oc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C29H36O3Si/c1-28(2,3)33(26-14-8-6-9-15-26,27-16-10-7-11-17-27)31-22-12-13-24-18-20-25(21-19-24)32-29(4,5)23-30/h6-11,14-21,23H,12-13,22H2,1-5H3
InChIKeyIEINAHUJVAMCOM-UHFFFAOYSA-N
MW460.69 g/mol
LogP5.55
Rot. Bonds10

About 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal

2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal (PubChem CID 22345545) has the molecular formula C29H36O3Si and a molecular weight of 460.69 g/mol. Its IUPAC name is 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal.

Molecular Properties

Compound Name2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal
PubChem CID22345545
Molecular FormulaC29H36O3Si
Molecular Weight460.69 g/mol
Exact Mass460.24
IUPAC Name2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal
SMILESCC(C)(C=O)Oc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1
InChIInChI=1S/C29H36O3Si/c1-28(2,3)33(26-14-8-6-9-15-26,27-16-10-7-11-17-27)31-22-12-13-24-18-20-25(21-19-24)32-29(4,5)23-30/h6-11,14-21,23H,12-13,22H2,1-5H3
InChIKeyIEINAHUJVAMCOM-UHFFFAOYSA-N
XLogP5.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

tert-butyl-[3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propoxy]-diphenylsilane
CID 102246866
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956
3-[4-(bromomethyl)phenyl]propoxy-tert-butyl-diphenylsilane;3-(4-bromophenyl)propanoic acid
CID 162181674
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
tert-butyl-[2-[4-(2-hydroperoxypropan-2-yl)phenyl]ethoxy]-diphenylsilane
CID 88618126
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-1-phenylhexan-3-ol
CID 11546522
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
tert-butyl-[5-(furan-3-yl)pentoxy]-diphenylsilane
CID 11153578

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal?
The IUPAC name of 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal (CID 22345545) is 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal.
What is the SMILES notation for 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal?
The canonical SMILES for 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal is CC(C)(C=O)Oc1ccc(CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc1.
What is the InChIKey of 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal?
The InChIKey is IEINAHUJVAMCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O3Si/c1-28(2,3)33(26-14-8-6-9-15-26,27-16-10-7-11-17-27)31-22-12-13-24-18-20-25(21-19-24)32-29(4,5)23-30/h6-11,14-21,23H,12-13,22H2,1-5H3.
What are the key properties of 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal?
2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal has a molecular weight of 460.69 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[tert-butyl(diphenyl)silyl]oxypropyl]phenoxy]-2-methylpropanal is sourced from PubChem (CID 22345545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).