(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal

C21H44O3Si2 — CID 10834870

IUPAC(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C21H44O3Si2/c1-20(2,3)25(7,8)23-18(16-22)19(17-14-12-11-13-15-17)24-26(9,10)21(4,5)6/h16-19H,11-15H2,1-10H3/t18-,19-/m0/s1
InChIKeyFELJJEJBOJOKJL-OALUTQOASA-N
MW400.75 g/mol
LogP6.55
Rot. Bonds7

About (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal

(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal (PubChem CID 10834870) has the molecular formula C21H44O3Si2 and a molecular weight of 400.75 g/mol. Its IUPAC name is (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal.

Molecular Properties

Compound Name(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal
PubChem CID10834870
Molecular FormulaC21H44O3Si2
Molecular Weight400.75 g/mol
Exact Mass400.28
IUPAC Name(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal
SMILESCC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C21H44O3Si2/c1-20(2,3)25(7,8)23-18(16-22)19(17-14-12-11-13-15-17)24-26(9,10)21(4,5)6/h16-19H,11-15H2,1-10H3/t18-,19-/m0/s1
InChIKeyFELJJEJBOJOKJL-OALUTQOASA-N
XLogP6.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.75
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

rac-(1R,2S)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 11746817
rac-(1R,2R)-2-((tert-butyldimethylsilyl)oxy)cyclohexane-1-carbaldehyde
CID 137964539
(1S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 13228831
(1R)-1-{[tert-Butyl(dimethyl)silyl]oxy}-1-cyclohexylbutan-2-one
CID 71421165
2-[Tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 10945058
(3R,4S,5R,7S)-5-methyl-3,4-bis(triethylsilyloxy)-7-trimethylsilyloxyoctan-2-one
CID 24898007
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 101697282
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-cyclohexylacetaldehyde
CID 134889630
(2R,3S,7S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-7-triethylsilyloxynonanal
CID 138981465
(2S,3S)-2-butyl-3-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 139263534
(3R, 4S)-4-methyl-3-((triethylsilyl)oxy)octanal
CID 145865206
(3S, 4S)-4-methyl-3-((triethylsilyl)oxy)octanal
CID 145865216

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal?
The IUPAC name of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal (CID 10834870) is (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal.
What is the SMILES notation for (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal?
The canonical SMILES for (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal is CC(C)(C)[Si](C)(C)O[C@@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal?
The InChIKey is FELJJEJBOJOKJL-OALUTQOASA-N. The full InChI is InChI=1S/C21H44O3Si2/c1-20(2,3)25(7,8)23-18(16-22)19(17-14-12-11-13-15-17)24-26(9,10)21(4,5)6/h16-19H,11-15H2,1-10H3/t18-,19-/m0/s1.
What are the key properties of (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal?
(2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal has a molecular weight of 400.75 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-cyclohexylpropanal is sourced from PubChem (CID 10834870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).