(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol

C22H48O4Si2 — CID 135022966

IUPAC(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol
SMILESCC(C)[Si](OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H]1O[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O4Si2/c1-15(2)28(16(3)4,17(5)6)24-14-20(19(13-23)21-18(7)25-21)26-27(11,12)22(8,9)10/h15-21,23H,13-14H2,1-12H3/t18-,19-,20-,21+/m0/s1
InChIKeyFVVPNPDYMBZCQV-XSDIEEQYSA-N
MW432.79 g/mol
LogP5.96
Rot. Bonds11

About (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol

(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol (PubChem CID 135022966) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol.

Molecular Properties

Compound Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol
PubChem CID135022966
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Name(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol
SMILESCC(C)[Si](OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H]1O[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C22H48O4Si2/c1-15(2)28(16(3)4,17(5)6)24-14-20(19(13-23)21-18(7)25-21)26-27(11,12)22(8,9)10/h15-21,23H,13-14H2,1-12H3/t18-,19-,20-,21+/m0/s1
InChIKeyFVVPNPDYMBZCQV-XSDIEEQYSA-N
XLogP5.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol?
The IUPAC name of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol (CID 135022966) is (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol.
What is the SMILES notation for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol?
The canonical SMILES for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol is CC(C)[Si](OC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)[C@@H]1O[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol?
The InChIKey is FVVPNPDYMBZCQV-XSDIEEQYSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-15(2)28(16(3)4,17(5)6)24-14-20(19(13-23)21-18(7)25-21)26-27(11,12)22(8,9)10/h15-21,23H,13-14H2,1-12H3/t18-,19-,20-,21+/m0/s1.
What are the key properties of (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol?
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol has a molecular weight of 432.79 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2S,3S)-3-methyloxiran-2-yl]-4-tri(propan-2-yl)silyloxybutan-1-ol is sourced from PubChem (CID 135022966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).