3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol

C24H36O3Si — CID 154423315

IUPAC3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
SMILESCC(C)(C)[Si](OCCC(CCO)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36O3Si/c1-24(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-17-21(16-19-26)11-10-18-25/h4-9,12-15,21,25-26H,10-11,16-20H2,1-3H3
InChIKeyIXNBVUMXDNUIOC-UHFFFAOYSA-N
MW400.64 g/mol
LogP3.72
Rot. Bonds11

About 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol

3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol (PubChem CID 154423315) has the molecular formula C24H36O3Si and a molecular weight of 400.64 g/mol. Its IUPAC name is 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol.

Molecular Properties

Compound Name3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
PubChem CID154423315
Molecular FormulaC24H36O3Si
Molecular Weight400.64 g/mol
Exact Mass400.24
IUPAC Name3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol
SMILESCC(C)(C)[Si](OCCC(CCO)CCCO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H36O3Si/c1-24(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-17-21(16-19-26)11-10-18-25/h4-9,12-15,21,25-26H,10-11,16-20H2,1-3H3
InChIKeyIXNBVUMXDNUIOC-UHFFFAOYSA-N
XLogP3.72
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-6-bromo-3-(2-bromoethyl)hexoxy]-tert-butyl-diphenylsilane
CID 154420849
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
7-[tert-butyl(diphenyl)silyl]oxyhept-4-yn-1-ol
CID 132916775
tert-butyl-(3,3-dimethoxypropoxy)-diphenylsilane
CID 11142897
2-[(2S)-4-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]propane-1,3-diol
CID 69285405
2-[4-[tert-butyl(diphenyl)silyl]oxybutoxy]ethanol
CID 156707018
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
10-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(10-hydroxydecyl)amino]decan-1-ol
CID 169273518

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol?
The IUPAC name of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol (CID 154423315) is 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol.
What is the SMILES notation for 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol?
The canonical SMILES for 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol is CC(C)(C)[Si](OCCC(CCO)CCCO)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol?
The InChIKey is IXNBVUMXDNUIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36O3Si/c1-24(2,3)28(22-12-6-4-7-13-22,23-14-8-5-9-15-23)27-20-17-21(16-19-26)11-10-18-25/h4-9,12-15,21,25-26H,10-11,16-20H2,1-3H3.
What are the key properties of 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol?
3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol has a molecular weight of 400.64 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]hexane-1,6-diol is sourced from PubChem (CID 154423315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).