(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

C25H54O5Si3 — CID 102156337

IUPAC(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESC=C1O[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O5Si3/c1-18-20(29-32(13,14)24(5,6)7)22(30-33(15,16)25(8,9)10)21(28-18)19(26)17-27-31(11,12)23(2,3)4/h19-22,26H,1,17H2,2-16H3/t19-,20+,21+,22-/m1/s1
InChIKeyLKIKKSVWYYLJDW-CLAROIROSA-N
MW518.96 g/mol
LogP7.06
Rot. Bonds8

About (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol

(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (PubChem CID 102156337) has the molecular formula C25H54O5Si3 and a molecular weight of 518.96 g/mol. Its IUPAC name is (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.

Molecular Properties

Compound Name(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
PubChem CID102156337
Molecular FormulaC25H54O5Si3
Molecular Weight518.96 g/mol
Exact Mass518.33
IUPAC Name(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol
SMILESC=C1O[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H54O5Si3/c1-18-20(29-32(13,14)24(5,6)7)22(30-33(15,16)25(8,9)10)21(28-18)19(26)17-27-31(11,12)23(2,3)4/h19-22,26H,1,17H2,2-16H3/t19-,20+,21+,22-/m1/s1
InChIKeyLKIKKSVWYYLJDW-CLAROIROSA-N
XLogP7.06
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.96
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The IUPAC name of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol (CID 102156337) is (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol.
What is the SMILES notation for (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The canonical SMILES for (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is C=C1O[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
The InChIKey is LKIKKSVWYYLJDW-CLAROIROSA-N. The full InChI is InChI=1S/C25H54O5Si3/c1-18-20(29-32(13,14)24(5,6)7)22(30-33(15,16)25(8,9)10)21(28-18)19(26)17-27-31(11,12)23(2,3)4/h19-22,26H,1,17H2,2-16H3/t19-,20+,21+,22-/m1/s1.
What are the key properties of (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol?
(1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol has a molecular weight of 518.96 g/mol, XLogP of 7.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methylideneoxolan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethanol is sourced from PubChem (CID 102156337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).