5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal

C22H30O2Si — CID 72966538

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
SMILESCC(C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19H,11-12,17H2,1-4H3
InChIKeyBBBMTZTZZSKZCF-UHFFFAOYSA-N
MW354.57 g/mol
LogP4.18
Rot. Bonds8

About 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal

5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal (PubChem CID 72966538) has the molecular formula C22H30O2Si and a molecular weight of 354.57 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
PubChem CID72966538
Molecular FormulaC22H30O2Si
Molecular Weight354.57 g/mol
Exact Mass354.20
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
SMILESCC(C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19H,11-12,17H2,1-4H3
InChIKeyBBBMTZTZZSKZCF-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.57
LogP ≤ 54.18
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'}

Analyze 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4R)-5-(benzenesulfonyl)-4-methylpentoxy]-tert-butyl-diphenylsilane
CID 25117682
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
tert-butyl-[(4S)-4,6-dimethylhept-6-enoxy]-diphenylsilane
CID 160977016
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
5-[tert-butyl(diphenyl)silyl]oxy-2-methylidenepentanal
CID 10665724
(2S,4S)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptane-1,4-diol
CID 102323148
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxybutanal
CID 11983684
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-bromo-3-[tert-butyl(diphenyl)silyl]oxypropanal
CID 101084153
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal (CID 72966538) is 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal is CC(C=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
The InChIKey is BBBMTZTZZSKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2Si/c1-19(18-23)12-11-17-24-25(22(2,3)4,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-10,13-16,18-19H,11-12,17H2,1-4H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal?
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal has a molecular weight of 354.57 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal is sourced from PubChem (CID 72966538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).