tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane

C28H42O4Si — CID 158326767

IUPACtert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
SMILESC[C@@H]1C(CO[Si](C)(C)C(C)(C)C)OC(OCc2ccccc2)C(OCc2ccccc2)[C@H]1C
InChIInChI=1S/C28H42O4Si/c1-21-22(2)26(29-18-23-14-10-8-11-15-23)27(30-19-24-16-12-9-13-17-24)32-25(21)20-31-33(6,7)28(3,4)5/h8-17,21-22,25-27H,18-20H2,1-7H3/t21-,22-,25?,26?,27?/m0/s1
InChIKeyOUMDPSACDGRCCC-ZYRNILTFSA-N
MW470.73 g/mol
LogP6.81
Rot. Bonds9

About tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane

tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane (PubChem CID 158326767) has the molecular formula C28H42O4Si and a molecular weight of 470.73 g/mol. Its IUPAC name is tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
PubChem CID158326767
Molecular FormulaC28H42O4Si
Molecular Weight470.73 g/mol
Exact Mass470.29
IUPAC Nametert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
SMILESC[C@@H]1C(CO[Si](C)(C)C(C)(C)C)OC(OCc2ccccc2)C(OCc2ccccc2)[C@H]1C
InChIInChI=1S/C28H42O4Si/c1-21-22(2)26(29-18-23-14-10-8-11-15-23)27(30-19-24-16-12-9-13-17-24)32-25(21)20-31-33(6,7)28(3,4)5/h8-17,21-22,25-27H,18-20H2,1-7H3/t21-,22-,25?,26?,27?/m0/s1
InChIKeyOUMDPSACDGRCCC-ZYRNILTFSA-N
XLogP6.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.73
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
(2R,3S,4S,5R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 102125850
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
tert-butyl-[[10,15,20,25,30,35-hexakis[[tert-butyl(dimethyl)silyl]oxymethyl]-36,38,40,42,44,46,48-heptamethoxy-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methoxy]-dimethylsilane
CID 14376888
(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-37,39,41,43,45,47,49-heptakis(phenylmethoxy)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,38,40,42,44,46,48-heptol
CID 10261037
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 72723984
(4R,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-one
CID 58292531
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(2S,3R,4S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-2,4-diol
CID 56636116
tert-butyl-dimethyl-[[(1R,2S,5S,7R)-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]oct-3-en-7-yl]methoxy]silane
CID 11100548
tert-butyl-[[(2S,3S,4R,5R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-iodo-4-[(4-methoxyphenyl)methoxy]-3-methyloxan-2-yl]methoxy]-dimethylsilane
CID 117071244

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane (CID 158326767) is tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane is C[C@@H]1C(CO[Si](C)(C)C(C)(C)C)OC(OCc2ccccc2)C(OCc2ccccc2)[C@H]1C.
What is the InChIKey of tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
The InChIKey is OUMDPSACDGRCCC-ZYRNILTFSA-N. The full InChI is InChI=1S/C28H42O4Si/c1-21-22(2)26(29-18-23-14-10-8-11-15-23)27(30-19-24-16-12-9-13-17-24)32-25(21)20-31-33(6,7)28(3,4)5/h8-17,21-22,25-27H,18-20H2,1-7H3/t21-,22-,25?,26?,27?/m0/s1.
What are the key properties of tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane has a molecular weight of 470.73 g/mol, XLogP of 6.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 158326767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).