1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol

C26H40O3Si2 — CID 67767772

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC=C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)29-21-22(27)19-20-28-31(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,21,27H,19-20H2,1-8H3
InChIKeyZLYLHETVWMPGBL-UHFFFAOYSA-N
MW456.78 g/mol
LogP6.37
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol (PubChem CID 67767772) has the molecular formula C26H40O3Si2 and a molecular weight of 456.78 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
PubChem CID67767772
Molecular FormulaC26H40O3Si2
Molecular Weight456.78 g/mol
Exact Mass456.25
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol
SMILESCC(C)(C)[Si](C)(C)OC=C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)29-21-22(27)19-20-28-31(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,21,27H,19-20H2,1-8H3
InChIKeyZLYLHETVWMPGBL-UHFFFAOYSA-N
XLogP6.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.78
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[3-(fluoromethylidene)pentoxy]-diphenylsilane
CID 163904820
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 59717822
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
tert-butyl-[(E)-6-[tert-butyl(dimethyl)silyl]oxy-4-ethylhex-5-enoxy]-diphenylsilane
CID 101428373
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
tert-butyl-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyldisulfanyl]ethoxy]-diphenylsilane
CID 54264356
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
4-[tert-butyl(diphenyl)silyl]oxy-1,1-diphenylbutan-1-ol
CID 165343479
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol (CID 67767772) is 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol is CC(C)(C)[Si](C)(C)OC=C(O)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol?
The InChIKey is ZLYLHETVWMPGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O3Si2/c1-25(2,3)30(7,8)29-21-22(27)19-20-28-31(26(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-18,21,27H,19-20H2,1-8H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol has a molecular weight of 456.78 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxybut-1-en-2-ol is sourced from PubChem (CID 67767772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).