1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one

C19H38O4Si — CID 134969675

IUPAC1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one
SMILESCOC1(CC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C19H38O4Si/c1-13(2)17-15(4)16(23-24(9,10)18(5,6)7)12-19(21-8,22-17)11-14(3)20/h13,15-17H,11-12H2,1-10H3/t15-,16+,17+,19?/m0/s1
InChIKeyUNQOLTBCZOOCCO-GDFJXRMTSA-N
MW358.60 g/mol
LogP4.78
Rot. Bonds6

About 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one

1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one (PubChem CID 134969675) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one
PubChem CID134969675
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one
SMILESCOC1(CC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O1
InChIInChI=1S/C19H38O4Si/c1-13(2)17-15(4)16(23-24(9,10)18(5,6)7)12-19(21-8,22-17)11-14(3)20/h13,15-17H,11-12H2,1-10H3/t15-,16+,17+,19?/m0/s1
InChIKeyUNQOLTBCZOOCCO-GDFJXRMTSA-N
XLogP4.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one?
The IUPAC name of 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one (CID 134969675) is 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one.
What is the SMILES notation for 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one?
The canonical SMILES for 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one is COC1(CC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O1.
What is the InChIKey of 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one?
The InChIKey is UNQOLTBCZOOCCO-GDFJXRMTSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-13(2)17-15(4)16(23-24(9,10)18(5,6)7)12-19(21-8,22-17)11-14(3)20/h13,15-17H,11-12H2,1-10H3/t15-,16+,17+,19?/m0/s1.
What are the key properties of 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one?
1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one has a molecular weight of 358.60 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one is sourced from PubChem (CID 134969675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).