[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate

C19H38O5Si — CID 71220575

IUPAC[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate
SMILESCCC(O)C[C@H]1OC(OC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C19H38O5Si/c1-10-14(21)11-15-19(6,7)16(12-17(23-15)22-13(2)20)24-25(8,9)18(3,4)5/h14-17,21H,10-12H2,1-9H3/t14?,15-,16-,17?/m1/s1
InChIKeyUZYYHGIBWYLAQI-JCCCHCCOSA-N
MW374.59 g/mol
LogP4.24
Rot. Bonds6

About [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate

[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate (PubChem CID 71220575) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate.

Molecular Properties

Compound Name[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate
PubChem CID71220575
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate
SMILESCCC(O)C[C@H]1OC(OC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1(C)C
InChIInChI=1S/C19H38O5Si/c1-10-14(21)11-15-19(6,7)16(12-17(23-15)22-13(2)20)24-25(8,9)18(3,4)5/h14-17,21H,10-12H2,1-9H3/t14?,15-,16-,17?/m1/s1
InChIKeyUZYYHGIBWYLAQI-JCCCHCCOSA-N
XLogP4.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate?
The IUPAC name of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate (CID 71220575) is [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate.
What is the SMILES notation for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate?
The canonical SMILES for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate is CCC(O)C[C@H]1OC(OC(C)=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1(C)C.
What is the InChIKey of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate?
The InChIKey is UZYYHGIBWYLAQI-JCCCHCCOSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-10-14(21)11-15-19(6,7)16(12-17(23-15)22-13(2)20)24-25(8,9)18(3,4)5/h14-17,21H,10-12H2,1-9H3/t14?,15-,16-,17?/m1/s1.
What are the key properties of [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate?
[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate has a molecular weight of 374.59 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-hydroxybutyl)-5,5-dimethyloxan-2-yl] acetate is sourced from PubChem (CID 71220575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).