2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol

C22H32O3Si — CID 156707018

IUPAC2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
SMILESCC(C)(C)[Si](OCCCCOCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O3Si/c1-22(2,3)26(20-12-6-4-7-13-20,21-14-8-5-9-15-21)25-18-11-10-17-24-19-16-23/h4-9,12-15,23H,10-11,16-19H2,1-3H3
InChIKeyXYNLUTVPVXZNHA-UHFFFAOYSA-N
MW372.58 g/mol
LogP3.35
Rot. Bonds10

About 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol

2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol (PubChem CID 156707018) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol.

Molecular Properties

Compound Name2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
PubChem CID156707018
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Name2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
SMILESCC(C)(C)[Si](OCCCCOCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H32O3Si/c1-22(2,3)26(20-12-6-4-7-13-20,21-14-8-5-9-15-21)25-18-11-10-17-24-19-16-23/h4-9,12-15,23H,10-11,16-19H2,1-3H3
InChIKeyXYNLUTVPVXZNHA-UHFFFAOYSA-N
XLogP3.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
7-[tert-butyl(diphenyl)silyl]oxy-2-methylheptan-2-ol
CID 102173958
3-[3-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]propoxy]propanal
CID 171538124
tert-butyl-(10-iododecoxy)-diphenylsilane
CID 10994946
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991
8-bromooctoxy-tert-butyl-diphenylsilane
CID 22444390
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
(Z)-8-[tert-butyl(diphenyl)silyl]oxy-3-fluorooct-3-en-1-ol
CID 23054616
4-[4-[tert-butyl(diphenyl)silyl]oxybutyl]phenol
CID 102173956

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol?
The IUPAC name of 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol (CID 156707018) is 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol.
What is the SMILES notation for 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol?
The canonical SMILES for 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol is CC(C)(C)[Si](OCCCCOCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol?
The InChIKey is XYNLUTVPVXZNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-22(2,3)26(20-12-6-4-7-13-20,21-14-8-5-9-15-21)25-18-11-10-17-24-19-16-23/h4-9,12-15,23H,10-11,16-19H2,1-3H3.
What are the key properties of 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol?
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol has a molecular weight of 372.58 g/mol, XLogP of 3.35, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol is sourced from PubChem (CID 156707018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).