2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde

C22H46O4Si2 — CID 135024173

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde
SMILESCC1(C(C=O)O[Si](C)(C)C(C)(C)C)CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H46O4Si2/c1-19(2,3)27(10,11)25-18(16-23)22(9)15-14-17(24-22)21(7,8)26-28(12,13)20(4,5)6/h16-18H,14-15H2,1-13H3/t17-,18?,22?/m1/s1
InChIKeyILLHOSYLUKFUQM-PDDLGQBUSA-N
MW430.78 g/mol
LogP6.31
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde

2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde (PubChem CID 135024173) has the molecular formula C22H46O4Si2 and a molecular weight of 430.78 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde
PubChem CID135024173
Molecular FormulaC22H46O4Si2
Molecular Weight430.78 g/mol
Exact Mass430.29
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde
SMILESCC1(C(C=O)O[Si](C)(C)C(C)(C)C)CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C22H46O4Si2/c1-19(2,3)27(10,11)25-18(16-23)22(9)15-14-17(24-22)21(7,8)26-28(12,13)20(4,5)6/h16-18H,14-15H2,1-13H3/t17-,18?,22?/m1/s1
InChIKeyILLHOSYLUKFUQM-PDDLGQBUSA-N
XLogP6.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.78
LogP ≤ 56.31
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

(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4-methyl-3-triethylsilyloxyheptanal
CID 54577935
(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
CID 135027413
2-[(2S,3S,4R)-5-[2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propyl]-3-ethyl-4-methoxyoxolan-2-yl]acetaldehyde
CID 173886873
(2S)-2-[(2R,4R,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxolan-2-yl]-2-triethylsilyloxyacetaldehyde
CID 11304605
ethyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate
CID 25107812
(2S,3R,5R)-5-[(1S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolane-2-carbaldehyde
CID 25107871
2-[(2S,3R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-oxoethyl]-3-methyloxolan-2-yl]ethyl 2,2-dimethylpropanoate
CID 66552830
methyl 2-[(2S,3R,5R)-5-[(1S,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-3-oxopropyl]-3-methyloxolan-2-yl]acetate
CID 102413007

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde (CID 135024173) is 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde is CC1(C(C=O)O[Si](C)(C)C(C)(C)C)CC[C@H](C(C)(C)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde?
The InChIKey is ILLHOSYLUKFUQM-PDDLGQBUSA-N. The full InChI is InChI=1S/C22H46O4Si2/c1-19(2,3)27(10,11)25-18(16-23)22(9)15-14-17(24-22)21(7,8)26-28(12,13)20(4,5)6/h16-18H,14-15H2,1-13H3/t17-,18?,22?/m1/s1.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde?
2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde has a molecular weight of 430.78 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde is sourced from PubChem (CID 135024173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).