5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol

C28H42O4Si — CID 22244455

IUPAC5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CCO)OC1CCCCO1
InChIInChI=1S/C28H42O4Si/c1-27(2,3)33(23-14-8-6-9-15-23,24-16-10-7-11-17-24)31-22-28(4,5)25(19-20-29)32-26-18-12-13-21-30-26/h6-11,14-17,25-26,29H,12-13,18-22H2,1-5H3
InChIKeyWYRPBAJRUFNZLI-UHFFFAOYSA-N
MW470.73 g/mol
LogP4.88
Rot. Bonds10

About 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol

5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol (PubChem CID 22244455) has the molecular formula C28H42O4Si and a molecular weight of 470.73 g/mol. Its IUPAC name is 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
PubChem CID22244455
Molecular FormulaC28H42O4Si
Molecular Weight470.73 g/mol
Exact Mass470.29
IUPAC Name5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol
SMILESCC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CCO)OC1CCCCO1
InChIInChI=1S/C28H42O4Si/c1-27(2,3)33(23-14-8-6-9-15-23,24-16-10-7-11-17-24)31-22-28(4,5)25(19-20-29)32-26-18-12-13-21-30-26/h6-11,14-17,25-26,29H,12-13,18-22H2,1-5H3
InChIKeyWYRPBAJRUFNZLI-UHFFFAOYSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.73
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methyl-3-(oxan-2-yloxy)pent-4-en-1-ol
CID 10972716
tert-butyl-[(2S)-2-(oxan-2-yloxy)-3-phenylmethoxypropoxy]-diphenylsilane
CID 10885655
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
methyl (2S,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methyl-3-(oxan-2-yloxy)pentanoate
CID 100984372
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3S,4S,6S,8R,10S)-1-[tert-butyl(diphenyl)silyl]oxy-4,6,8,10-tetramethyl-11-(oxan-2-yloxy)undecan-3-ol
CID 175678466
tert-butyl-[19-(oxan-2-yloxy)nonadeca-5,14-diynoxy]-diphenylsilane
CID 145367352
tert-butyl-[(2E)-2-[2-(oxan-2-yloxy)ethylidene]pentoxy]-diphenylsilane
CID 171813189
(5S)-7-hydroxy-4,4-dimethyl-5-(oxan-2-yloxy)heptan-3-one
CID 57239627
(2S,3R,4R,5R)-7-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[2-(oxan-2-yloxy)ethyl]-5-tri(propan-2-yl)silyloxyheptane-1,3-diol
CID 135836143
[(2R,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]oxepan-3-yl] formate
CID 10949681

Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol?
The IUPAC name of 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol (CID 22244455) is 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol.
What is the SMILES notation for 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol?
The canonical SMILES for 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol is CC(C)(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(CCO)OC1CCCCO1.
What is the InChIKey of 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol?
The InChIKey is WYRPBAJRUFNZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O4Si/c1-27(2,3)33(23-14-8-6-9-15-23,24-16-10-7-11-17-24)31-22-28(4,5)25(19-20-29)32-26-18-12-13-21-30-26/h6-11,14-17,25-26,29H,12-13,18-22H2,1-5H3.
What are the key properties of 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol?
5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol has a molecular weight of 470.73 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(diphenyl)silyl]oxy-4,4-dimethyl-3-(oxan-2-yloxy)pentan-1-ol is sourced from PubChem (CID 22244455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).