(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal

C31H48O4Si2 — CID 102089639

IUPAC(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C[C@H](C)C=O
InChIInChI=1S/C31H48O4Si2/c1-8-36(9-2,10-3)35-30-22-26(34-29(30)21-25(4)23-32)24-33-37(31(5,6)7,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,23,25-26,29-30H,8-10,21-22,24H2,1-7H3/t25-,26+,29-,30-/m0/s1
InChIKeyIPYRELQZFUWANY-ZDIDPRFDSA-N
MW540.89 g/mol
LogP6.34
Rot. Bonds13

About (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal

(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal (PubChem CID 102089639) has the molecular formula C31H48O4Si2 and a molecular weight of 540.89 g/mol. Its IUPAC name is (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal.

Molecular Properties

Compound Name(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal
PubChem CID102089639
Molecular FormulaC31H48O4Si2
Molecular Weight540.89 g/mol
Exact Mass540.31
IUPAC Name(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal
SMILESCC[Si](CC)(CC)O[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C[C@H](C)C=O
InChIInChI=1S/C31H48O4Si2/c1-8-36(9-2,10-3)35-30-22-26(34-29(30)21-25(4)23-32)24-33-37(31(5,6)7,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,23,25-26,29-30H,8-10,21-22,24H2,1-7H3/t25-,26+,29-,30-/m0/s1
InChIKeyIPYRELQZFUWANY-ZDIDPRFDSA-N
XLogP6.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.89
LogP ≤ 56.34
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

2-[(3R,5S)-2,2-diphenyl-5-propan-2-yloxasilolan-3-yl]acetaldehyde
CID 10925395
methyl 2-[(2R,3S,5S)-3-[tert-butyl(diphenyl)silyl]oxy-5-[(1R)-1-methoxyethyl]oxolan-2-yl]acetate
CID 10961482
(2R,3S,4S,6R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]oxane-2-carbaldehyde
CID 11763729
(5R)-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]oxolan-2-one
CID 12190362
(4S,5S)-4-butyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-one
CID 14215134
(3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecanal
CID 24828358
(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]oxolan-2-one
CID 71523783
(3R,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl]-3-methyloxolan-2-one
CID 71523785
(5S)-5-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-2-yl]oxolan-2-one
CID 101941634
4-O-[(4R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-triethylsilyloxyethyl]-1-oxooctan-4-yl] 1-O-ethyl butanedioate
CID 102392249
2-((2R,4S,6S)-4-((tert-Butyldimethylsilyl)oxy-6-(2-((tert-butyldiphenylsilyl)oxy)ethyl)tetrahydro-2H-pyran-2-yl)acetaldehyde
CID 102489108
(5S)-5-[(1S)-1-[tert-butyl(diphenyl)silyl]oxytridecyl]oxolan-2-one
CID 134839118

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal?
The IUPAC name of (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal (CID 102089639) is (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal.
What is the SMILES notation for (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal?
The canonical SMILES for (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal is CC[Si](CC)(CC)O[C@H]1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1C[C@H](C)C=O.
What is the InChIKey of (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal?
The InChIKey is IPYRELQZFUWANY-ZDIDPRFDSA-N. The full InChI is InChI=1S/C31H48O4Si2/c1-8-36(9-2,10-3)35-30-22-26(34-29(30)21-25(4)23-32)24-33-37(31(5,6)7,27-17-13-11-14-18-27)28-19-15-12-16-20-28/h11-20,23,25-26,29-30H,8-10,21-22,24H2,1-7H3/t25-,26+,29-,30-/m0/s1.
What are the key properties of (2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal?
(2S)-3-[(2S,3S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal has a molecular weight of 540.89 g/mol, XLogP of 6.34, 13 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-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-triethylsilyloxyoxolan-2-yl]-2-methylpropanal is sourced from PubChem (CID 102089639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).