(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal

C22H48O4Si2 — CID 135027413

IUPAC(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@H](CC=O)[C@@](C)(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C22H48O4Si2/c1-12-28(13-2,14-3)26-20(15-16-23)22(8,24-9)17-19(4)18-25-27(10,11)21(5,6)7/h16,19-20H,12-15,17-18H2,1-11H3/t19-,20-,22-/m1/s1
InChIKeyBEFWEXUHMOTPGC-KCZVDYSFSA-N
MW432.79 g/mol
LogP6.42
Rot. Bonds14

About (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal

(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal (PubChem CID 135027413) has the molecular formula C22H48O4Si2 and a molecular weight of 432.79 g/mol. Its IUPAC name is (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal.

Molecular Properties

Compound Name(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
PubChem CID135027413
Molecular FormulaC22H48O4Si2
Molecular Weight432.79 g/mol
Exact Mass432.31
IUPAC Name(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal
SMILESCC[Si](CC)(CC)O[C@H](CC=O)[C@@](C)(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C22H48O4Si2/c1-12-28(13-2,14-3)26-20(15-16-23)22(8,24-9)17-19(4)18-25-27(10,11)21(5,6)7/h16,19-20H,12-15,17-18H2,1-11H3/t19-,20-,22-/m1/s1
InChIKeyBEFWEXUHMOTPGC-KCZVDYSFSA-N
XLogP6.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.79
LogP ≤ 56.42
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'}

Analyze (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal with MolForge

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Related Compounds

(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal
CID 21638271
(3R,4R)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methoxy-4-methylheptanal
CID 54577485
(3R,4R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4-methyl-3-triethylsilyloxyheptanal
CID 54577935
2-[tert-butyl(dimethyl)silyl]oxy-2-[(5R)-5-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-2-methyloxolan-2-yl]acetaldehyde
CID 135024173
(2R,4S,5R,6S,8R)-4,6-dimethoxy-2,8-dimethyl-5-triethylsilyloxy-9-tri(propan-2-yl)silyloxynonanal
CID 135049191
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
5-[Tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxynonanal
CID 14608699
(2R,4S,5R,6S,8R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethoxy-2,8-dimethyl-9-tri(propan-2-yl)silyloxyundecanal
CID 57005796
(2S)-2-[(3S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]oxan-2-yl]propanal
CID 11114312
(3S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-5,6-dimethyl-3-tri(propan-2-yl)silyloxyheptanal
CID 11157426
(2R,3S,6R)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethylheptanal
CID 11211818
(2R,3S,4S,5S)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylheptanal
CID 11272575

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal?
The IUPAC name of (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal (CID 135027413) is (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal.
What is the SMILES notation for (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal?
The canonical SMILES for (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal is CC[Si](CC)(CC)O[C@H](CC=O)[C@@](C)(C[C@@H](C)CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal?
The InChIKey is BEFWEXUHMOTPGC-KCZVDYSFSA-N. The full InChI is InChI=1S/C22H48O4Si2/c1-12-28(13-2,14-3)26-20(15-16-23)22(8,24-9)17-19(4)18-25-27(10,11)21(5,6)7/h16,19-20H,12-15,17-18H2,1-11H3/t19-,20-,22-/m1/s1.
What are the key properties of (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal?
(3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal has a molecular weight of 432.79 g/mol, XLogP of 6.42, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-7-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-4,6-dimethyl-3-triethylsilyloxyheptanal is sourced from PubChem (CID 135027413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).