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

C16H34O6Si — CID 164665847

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

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

(1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol (PubChem CID 164665847) has the molecular formula C16H34O6Si and a molecular weight of 350.53 g/mol. Its IUPAC name is (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol.

Molecular Properties

Compound Name(1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol
PubChem CID164665847
Molecular FormulaC16H34O6Si
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name(1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol
SMILESCOC(OC)[C@H](O)[C@@H]1OC(C)(C)OC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O6Si/c1-15(2,3)23(8,9)22-11-10-20-16(4,5)21-13(11)12(17)14(18-6)19-7/h11-14,17H,10H2,1-9H3/t11-,12+,13+/m0/s1
InChIKeyUQBNTZRBUMWFIC-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 (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol?
The IUPAC name of (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol (CID 164665847) is (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol.
What is the SMILES notation for (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol?
The canonical SMILES for (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol is COC(OC)[C@H](O)[C@@H]1OC(C)(C)OC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol?
The InChIKey is UQBNTZRBUMWFIC-YNEHKIRRSA-N. The full InChI is InChI=1S/C16H34O6Si/c1-15(2,3)23(8,9)22-11-10-20-16(4,5)21-13(11)12(17)14(18-6)19-7/h11-14,17H,10H2,1-9H3/t11-,12+,13+/m0/s1.
What are the key properties of (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol?
(1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol 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 (1R)-1-[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-1,3-dioxan-4-yl]-2,2-dimethoxyethanol is sourced from PubChem (CID 164665847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).