(4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol

C16H34O6Si — CID 101382588

IUPAC(4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCOC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)OC[C@@H]1O
InChIInChI=1S/C16H34O6Si/c1-15(2,3)23(8,9)22-13(14(18-6)19-7)12-11(17)10-20-16(4,5)21-12/h11-14,17H,10H2,1-9H3/t11-,12+,13+/m0/s1
InChIKeyBROJUQGFXUGFJK-YNEHKIRRSA-N
MW350.53 g/mol
LogP2.51
Rot. Bonds6

About (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol

(4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 101382588) has the molecular formula C16H34O6Si and a molecular weight of 350.53 g/mol. Its IUPAC name is (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID101382588
Molecular FormulaC16H34O6Si
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name(4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCOC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)OC[C@@H]1O
InChIInChI=1S/C16H34O6Si/c1-15(2,3)23(8,9)22-13(14(18-6)19-7)12-11(17)10-20-16(4,5)21-12/h11-14,17H,10H2,1-9H3/t11-,12+,13+/m0/s1
InChIKeyBROJUQGFXUGFJK-YNEHKIRRSA-N
XLogP2.51
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol (CID 101382588) is (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol is COC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)OC[C@@H]1O.
What is the InChIKey of (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is BROJUQGFXUGFJK-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H34O6Si/c1-15(2,3)23(8,9)22-13(14(18-6)19-7)12-11(17)10-20-16(4,5)21-12/h11-14,17H,10H2,1-9H3/t11-,12+,13+/m0/s1.
What are the key properties of (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol?
(4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 350.53 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 101382588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).