(2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal

C12H24O4Si — CID 101137711

IUPAC(2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal
SMILESCO[C@H]1C[C@H](O[Si](C)(C)C)[C@H](C[C@H](C)C=O)O1
InChIInChI=1S/C12H24O4Si/c1-9(8-13)6-10-11(16-17(3,4)5)7-12(14-2)15-10/h8-12H,6-7H2,1-5H3/t9-,10-,11-,12+/m0/s1
InChIKeyODYWODPUNHTDGJ-FIQHERPVSA-N
MW260.41 g/mol
LogP2.19
Rot. Bonds6

About (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal

(2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal (PubChem CID 101137711) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal.

Molecular Properties

Compound Name(2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal
PubChem CID101137711
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name(2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal
SMILESCO[C@H]1C[C@H](O[Si](C)(C)C)[C@H](C[C@H](C)C=O)O1
InChIInChI=1S/C12H24O4Si/c1-9(8-13)6-10-11(16-17(3,4)5)7-12(14-2)15-10/h8-12H,6-7H2,1-5H3/t9-,10-,11-,12+/m0/s1
InChIKeyODYWODPUNHTDGJ-FIQHERPVSA-N
XLogP2.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)-2,6-dimethyl-4-triethylsilyloxyheptanal
CID 134839881
(2S)-3-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal
CID 11381112
methyl (2S)-3-[(2S,3S,5R)-5-methoxy-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanoate
CID 101118184

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal?
The IUPAC name of (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal (CID 101137711) is (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal.
What is the SMILES notation for (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal?
The canonical SMILES for (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal is CO[C@H]1C[C@H](O[Si](C)(C)C)[C@H](C[C@H](C)C=O)O1.
What is the InChIKey of (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal?
The InChIKey is ODYWODPUNHTDGJ-FIQHERPVSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-9(8-13)6-10-11(16-17(3,4)5)7-12(14-2)15-10/h8-12H,6-7H2,1-5H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal?
(2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal has a molecular weight of 260.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(2S,3S,5R)-5-methoxy-3-trimethylsilyloxyoxolan-2-yl]-2-methylpropanal is sourced from PubChem (CID 101137711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).