(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one

C15H28O3Si — CID 11701932

IUPAC(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one
SMILESC=C[C@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-9-12-10(2)13(11(3)14(16)17-12)18-19(7,8)15(4,5)6/h9-13H,1H2,2-8H3/t10-,11+,12+,13-/m0/s1
InChIKeyQNIPBJXBKLCIMK-LOWDOPEQSA-N
MW284.47 g/mol
LogP3.76
Rot. Bonds3

About (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one

(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one (PubChem CID 11701932) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one.

Molecular Properties

Compound Name(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one
PubChem CID11701932
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one
SMILESC=C[C@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C
InChIInChI=1S/C15H28O3Si/c1-9-12-10(2)13(11(3)14(16)17-12)18-19(7,8)15(4,5)6/h9-13H,1H2,2-8H3/t10-,11+,12+,13-/m0/s1
InChIKeyQNIPBJXBKLCIMK-LOWDOPEQSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one with MolForge

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Related Compounds

(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-prop-2-enyloxan-2-one
CID 11150688
(4S,5S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one
CID 134966756
(3R,4S,5S,6S)-6-[(Z)-but-1-enyl]-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 59891837
(3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(Z)-prop-1-enyl]oxan-2-one
CID 59891839
(3R,4S,5R,6R)-4-methoxy-3,5-dimethyl-6-[(E)-prop-1-enyl]oxan-2-one
CID 59891852
(3R,4R,5R,6R)-4-methoxy-3,5-dimethyl-6-[(E)-prop-1-enyl]oxan-2-one
CID 59891929
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-[(E)-prop-1-enyl]oxan-2-one
CID 59891943
(3R,4S,5S,6S)-6-but-1-enyl-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyloxan-2-one
CID 91504344
(4R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2,2-dihydroxyethenyl)oxan-2-one
CID 163922960
(4S,6S)-6-ethyl-5-methyl-4-prop-2-enyl-4-trimethylsilyloxyoxan-2-one
CID 173632364
(3R)-3-ethenyl-5-methylidene-4-trimethylsilyloxy-6-(trimethylsilyloxymethyl)oxan-2-one
CID 173719689
4-[Tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-one
CID 10015296

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one?
The IUPAC name of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one (CID 11701932) is (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one.
What is the SMILES notation for (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one?
The canonical SMILES for (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one is C=C[C@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.
What is the InChIKey of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one?
The InChIKey is QNIPBJXBKLCIMK-LOWDOPEQSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-9-12-10(2)13(11(3)14(16)17-12)18-19(7,8)15(4,5)6/h9-13H,1H2,2-8H3/t10-,11+,12+,13-/m0/s1.
What are the key properties of (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one?
(3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one has a molecular weight of 284.47 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-3,5-dimethyloxan-2-one is sourced from PubChem (CID 11701932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).