1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone

C15H30O4Si — CID 11141191

IUPAC1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)=O)OC[C@@H]1C
InChIInChI=1S/C15H30O4Si/c1-10-9-18-13(11(2)16)14(12(10)17-6)19-20(7,8)15(3,4)5/h10,12-14H,9H2,1-8H3/t10-,12-,13-,14+/m0/s1
InChIKeySUCVLLNPORDJJT-DOERSZECSA-N
MW302.49 g/mol
LogP3.02
Rot. Bonds4

About 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone

1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone (PubChem CID 11141191) has the molecular formula C15H30O4Si and a molecular weight of 302.49 g/mol. Its IUPAC name is 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone
PubChem CID11141191
Molecular FormulaC15H30O4Si
Molecular Weight302.49 g/mol
Exact Mass302.19
IUPAC Name1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone
SMILESCO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)=O)OC[C@@H]1C
InChIInChI=1S/C15H30O4Si/c1-10-9-18-13(11(2)16)14(12(10)17-6)19-20(7,8)15(3,4)5/h10,12-14H,9H2,1-8H3/t10-,12-,13-,14+/m0/s1
InChIKeySUCVLLNPORDJJT-DOERSZECSA-N
XLogP3.02
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxane-2-carbaldehyde
CID 57231418
[(2S,3R,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-methoxy-6-methyloxan-2-yl] acetate
CID 24788005
1-[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3,6,6-trimethyloxan-2-yl]ethanone
CID 10924589
(1S,2S,3R,4S,5R,6R)-10-[tert-butyl(dimethyl)silyl]oxy-11-propan-2-ylidenetricyclo[4.3.1.12,5]undecane-3,4-diol
CID 11046408
methyl (2S,3R,4S,5R)-3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]-6-hydroxyoxane-2-carboxylate
CID 166001717
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609
4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2,3-diol
CID 20612986
tert-butyl-[(3R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
CID 67130699
(3R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2-methyloxan-3-ol
CID 134971375
tert-butyl-dimethyl-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxysilane
CID 59441458
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
[(3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylpiperidin-3-yl]carbamic acid
CID 70982831

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone?
The IUPAC name of 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone (CID 11141191) is 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone?
The canonical SMILES for 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone is CO[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(C)=O)OC[C@@H]1C.
What is the InChIKey of 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone?
The InChIKey is SUCVLLNPORDJJT-DOERSZECSA-N. The full InChI is InChI=1S/C15H30O4Si/c1-10-9-18-13(11(2)16)14(12(10)17-6)19-20(7,8)15(3,4)5/h10,12-14H,9H2,1-8H3/t10-,12-,13-,14+/m0/s1.
What are the key properties of 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone?
1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone has a molecular weight of 302.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methyloxan-2-yl]ethanone is sourced from PubChem (CID 11141191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).