4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one

C15H30O4Si — CID 14760945

IUPAC4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one
SMILESCC(C)[Si](OCC1CC(O)CC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)18-9-14-7-13(16)8-15(17)19-14/h10-14,16H,7-9H2,1-6H3
InChIKeySKNWEAGAHYFOLD-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.24
Rot. Bonds6

About 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one

4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one (PubChem CID 14760945) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one.

Molecular Properties

Compound Name4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one
PubChem CID14760945
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one
SMILESCC(C)[Si](OCC1CC(O)CC(=O)O1)(C(C)C)C(C)C
InChIInChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)18-9-14-7-13(16)8-15(17)19-14/h10-14,16H,7-9H2,1-6H3
InChIKeySKNWEAGAHYFOLD-UHFFFAOYSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(hydroxymethyl)-tetrahydropyran-2-one
CID 10659025
4-[Tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-one
CID 15189735
((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
6-t-Butyldimethylsilyloxymethyl-4-hydroxytetrahydropyran-2-one
CID 19389468
(4R,6S)-4-(tert-butyldimethylsilyloxy)-6-(dihydroxymethyl)-tetrahydropyran-2-one
CID 44128178
ethyl (2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 23631762
ethyl (2R,3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 24823367
methyl (3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-5-methoxyhexanoate
CID 72945079
(4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-6-methyloxan-2-one
CID 135037138
ethyl (5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxyhexanoate
CID 135038443
(6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(dihydroxymethyl)oxan-2-one
CID 135039964
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one?
The IUPAC name of 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one (CID 14760945) is 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one.
What is the SMILES notation for 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one?
The canonical SMILES for 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one is CC(C)[Si](OCC1CC(O)CC(=O)O1)(C(C)C)C(C)C.
What is the InChIKey of 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one?
The InChIKey is SKNWEAGAHYFOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10(2)20(11(3)4,12(5)6)18-9-14-7-13(16)8-15(17)19-14/h10-14,16H,7-9H2,1-6H3.
What are the key properties of 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one?
4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one has a molecular weight of 302.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-[tri(propan-2-yl)silyloxymethyl]oxan-2-one is sourced from PubChem (CID 14760945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).