22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol

C28H60O2Si — CID 15229755

IUPAC22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C28H60O2Si/c1-28(2,3)31(4,5)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29/h29H,6-27H2,1-5H3
InChIKeyZSECCDNETBHELR-UHFFFAOYSA-N
MW456.87 g/mol
LogP9.80
Rot. Bonds23

About 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol

22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol (PubChem CID 15229755) has the molecular formula C28H60O2Si and a molecular weight of 456.87 g/mol. Its IUPAC name is 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol.

Molecular Properties

Compound Name22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
PubChem CID15229755
Molecular FormulaC28H60O2Si
Molecular Weight456.87 g/mol
Exact Mass456.44
IUPAC Name22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCCCCCCCCCCCCCCCO
InChIInChI=1S/C28H60O2Si/c1-28(2,3)31(4,5)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29/h29H,6-27H2,1-5H3
InChIKeyZSECCDNETBHELR-UHFFFAOYSA-N
XLogP9.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.87
LogP ≤ 59.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
acetic acid;6-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
CID 71376160
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-hex-5-ynoxy-dimethylsilane;hex-5-yn-1-ol
CID 158514976
10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptan-1-ol
CID 21261679
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(3R)-7-[tert-butyl(dimethyl)silyl]oxyheptane-1,3-diol
CID 15605935
3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]propan-1-ol
CID 156692863
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322

Frequently Asked Questions

What is the IUPAC name of 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol?
The IUPAC name of 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol (CID 15229755) is 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol.
What is the SMILES notation for 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol?
The canonical SMILES for 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol is CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCCCCCCCCCCCO.
What is the InChIKey of 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol?
The InChIKey is ZSECCDNETBHELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60O2Si/c1-28(2,3)31(4,5)30-27-25-23-21-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-22-24-26-29/h29H,6-27H2,1-5H3.
What are the key properties of 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol?
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol has a molecular weight of 456.87 g/mol, XLogP of 9.80, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol is sourced from PubChem (CID 15229755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).