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

C16H32O6Si — CID 46838235

IUPAC(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCOC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C16H32O6Si/c1-15(2,3)23(8,9)22-13(14(18-6)19-7)12-11(17)10-20-16(4,5)21-12/h12-14H,10H2,1-9H3/t12-,13-/m1/s1
InChIKeyQITVMHIGINNVLY-CHWSQXEVSA-N
MW348.51 g/mol
LogP2.72
Rot. Bonds6

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

(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one (PubChem CID 46838235) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
PubChem CID46838235
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one
SMILESCOC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C16H32O6Si/c1-15(2,3)23(8,9)22-13(14(18-6)19-7)12-11(17)10-20-16(4,5)21-12/h12-14H,10H2,1-9H3/t12-,13-/m1/s1
InChIKeyQITVMHIGINNVLY-CHWSQXEVSA-N
XLogP2.72
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
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 (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The IUPAC name of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one (CID 46838235) is (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one.
What is the SMILES notation for (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The canonical SMILES for (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one is COC(OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)OCC1=O.
What is the InChIKey of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one?
The InChIKey is QITVMHIGINNVLY-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-15(2,3)23(8,9)22-13(14(18-6)19-7)12-11(17)10-20-16(4,5)21-12/h12-14H,10H2,1-9H3/t12-,13-/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one?
(4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one has a molecular weight of 348.51 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethoxyethyl]-2,2-dimethyl-1,3-dioxan-5-one is sourced from PubChem (CID 46838235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).