(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol

C23H48O4Si2 — CID 91228685

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol
SMILESCC=C[C@H]1O[C@@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C23H48O4Si2/c1-13-14-18-17(2)19(26-28(9,10)22(3,4)5)15-20(25-18)21(16-24)27-29(11,12)23(6,7)8/h13-14,17-21,24H,15-16H2,1-12H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyYGHBHQADBVQTNG-LUYSREMJSA-N
MW444.81 g/mol
LogP6.13
Rot. Bonds7

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol (PubChem CID 91228685) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol
PubChem CID91228685
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol
SMILESCC=C[C@H]1O[C@@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C23H48O4Si2/c1-13-14-18-17(2)19(26-28(9,10)22(3,4)5)15-20(25-18)21(16-24)27-29(11,12)23(6,7)8/h13-14,17-21,24H,15-16H2,1-12H3/t17-,18+,19-,20+,21-/m0/s1
InChIKeyYGHBHQADBVQTNG-LUYSREMJSA-N
XLogP6.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
tert-butyl-[(1R)-1-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 11430609
4-[(2,2-Ditert-butyl-4,4a,6,8a-tetrahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl)methyl]-2-(hydroxymethyl)oxan-3-ol
CID 134864926
(E,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3R)-3-[(1S,5S)-1-[tert-butyl(dimethyl)silyl]oxy-6-[(2R,6R)-6-(4-hydroxybut-2-ynyl)-3,6-dihydro-2H-pyran-2-yl]-5-methyl-3-methylidenehexyl]oxiran-2-yl]-5-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]pent-4-en-2-ol
CID 134870631
[(3R)-3-[(E,2R,3S,4S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 135012529
(3S,4E,6S,7S,9R,10R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-10-methoxy-4,6-dimethyldodeca-4,11-diene-1,9-diol
CID 135019760
(4S,6S)-7-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]-6-methoxyhept-1-en-4-ol
CID 16726295
[(2S,3S)-3-[(E,2S,3R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 10884763
(1S)-1-[(2R,4S,5R,6R)-4-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]ethane-1,2-diol
CID 11053075
[(2R,3S)-3-[(E,2S,3R,4R)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-5-enyl]oxiran-2-yl]methanol
CID 15457492
(6S)-7-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-2,6-dimethylheptane-2,3-diol
CID 59026954
(1E,3S,4S,6E,12S)-3,8-bis[[tert-butyl(dimethyl)silyl]oxy]-13-[(2R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-12-methyl-1-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]-10-methylidenetrideca-1,6-dien-4-ol
CID 59027050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol (CID 91228685) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol is CC=C[C@H]1O[C@@H]([C@H](CO)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol?
The InChIKey is YGHBHQADBVQTNG-LUYSREMJSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-13-14-18-17(2)19(26-28(9,10)22(3,4)5)15-20(25-18)21(16-24)27-29(11,12)23(6,7)8/h13-14,17-21,24H,15-16H2,1-12H3/t17-,18+,19-,20+,21-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol has a molecular weight of 444.81 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-prop-1-enyloxan-2-yl]ethanol is sourced from PubChem (CID 91228685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).