[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol

C16H34O6Si — CID 10498077

IUPAC[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESCO[C@]1(C)O[C@@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@]1(C)OC
InChIInChI=1S/C16H34O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h12-13,17H,10-11H2,1-9H3/t12-,13+,15+,16+/m0/s1
InChIKeyLQBWCTLSTQOORQ-SJXGUFTOSA-N
MW350.53 g/mol
LogP2.51
Rot. Bonds6

About [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol

[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol (PubChem CID 10498077) has the molecular formula C16H34O6Si and a molecular weight of 350.53 g/mol. Its IUPAC name is [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
PubChem CID10498077
Molecular FormulaC16H34O6Si
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESCO[C@]1(C)O[C@@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@]1(C)OC
InChIInChI=1S/C16H34O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h12-13,17H,10-11H2,1-9H3/t12-,13+,15+,16+/m0/s1
InChIKeyLQBWCTLSTQOORQ-SJXGUFTOSA-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'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The IUPAC name of [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol (CID 10498077) is [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol is CO[C@]1(C)O[C@@H](CO)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@]1(C)OC.
What is the InChIKey of [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The InChIKey is LQBWCTLSTQOORQ-SJXGUFTOSA-N. The full InChI is InChI=1S/C16H34O6Si/c1-14(2,3)23(8,9)20-11-13-12(10-17)21-15(4,18-6)16(5,19-7)22-13/h12-13,17H,10-11H2,1-9H3/t12-,13+,15+,16+/m0/s1.
What are the key properties of [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
[(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol 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 [(2S,3R,5R,6R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 10498077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).