(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one

C12H24O3Si — CID 15668464

IUPAC(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one
SMILESC[C@H]1OC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9-10(7-8-11(13)14-9)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyKJJTXDOJMABXED-ZJUUUORDSA-N
MW244.41 g/mol
LogP3.10
Rot. Bonds2

About (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one

(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one (PubChem CID 15668464) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one.

Molecular Properties

Compound Name(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one
PubChem CID15668464
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one
SMILESC[C@H]1OC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9-10(7-8-11(13)14-9)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1
InChIKeyKJJTXDOJMABXED-ZJUUUORDSA-N
XLogP3.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((2S,4R)-4-(tert-butyldimethylsilyloxy)-6-oxotetrahydro-2H-pyran-2-yl)methyl acetate
CID 16113281
(4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyloxan-2-one
CID 139247737
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 16098130
(4S,5S,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208303
(4S,5R,6S)-4-methoxy-6-methyl-5-triethylsilyloxyoxan-2-one
CID 44208690
4-Acetoxy-6-t-butyldimethylsilyloxymethyltetrahydro pyran-2-one
CID 19389465
3-[Tert-butyl(dimethyl)silyl]oxyoxan-2-one
CID 19900863
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxane-2,4-dione
CID 54362216
[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]methyl acetate
CID 58160168
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(1-methoxyethyl)oxan-2-one
CID 58361810
(4S,6S)-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one
CID 66695452
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-one
CID 67817876

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one?
The IUPAC name of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one (CID 15668464) is (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one.
What is the SMILES notation for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one?
The canonical SMILES for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one is C[C@H]1OC(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one?
The InChIKey is KJJTXDOJMABXED-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9-10(7-8-11(13)14-9)15-16(5,6)12(2,3)4/h9-10H,7-8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one?
(5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one has a molecular weight of 244.41 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-one is sourced from PubChem (CID 15668464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).