tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate

C19H38O5Si — CID 10595600

IUPACtert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
SMILESCC(C)(C)OC(=O)C[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-17(2,3)23-16(20)12-14(24-25(9,10)18(4,5)6)11-15-13-21-19(7,8)22-15/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1
InChIKeyFJDYYNINUMLICZ-CABCVRRESA-N
MW374.59 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate

tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate (PubChem CID 10595600) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
PubChem CID10595600
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Nametert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
SMILESCC(C)(C)OC(=O)C[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O5Si/c1-17(2,3)23-16(20)12-14(24-25(9,10)18(4,5)6)11-15-13-21-19(7,8)22-15/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1
InChIKeyFJDYYNINUMLICZ-CABCVRRESA-N
XLogP4.65
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 14483582
2-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]acetaldehyde
CID 11348626
(3R,4S,5R)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11490601
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 13990018
ethyl 3-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 44515757
methyl (3S,5R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methoxyhexanoate
CID 102361535
3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoic acid
CID 102368860
(4r,5s)-Ethyl 5-[(s)-3-(t-butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 129843423
tert-butyl 2-[(4R,6S)-2,2-dimethyl-6-[(2S,3R)-3-trimethylsilyloxiran-2-yl]-1,3-dioxan-4-yl]acetate
CID 134937077
(5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-dioxaspiro[4.4]nonan-8-one
CID 135023102
ethyl 3-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 135028246
alpha-d-Galactofuranosiduronic acid, methyl 2,3,5-tris-O-(trimethylsilyl)-, methyl ester
CID 612379

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate?
The IUPAC name of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate (CID 10595600) is tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate.
What is the SMILES notation for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate?
The canonical SMILES for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate is CC(C)(C)OC(=O)C[C@@H](C[C@H]1COC(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate?
The InChIKey is FJDYYNINUMLICZ-CABCVRRESA-N. The full InChI is InChI=1S/C19H38O5Si/c1-17(2,3)23-16(20)12-14(24-25(9,10)18(4,5)6)11-15-13-21-19(7,8)22-15/h14-15H,11-13H2,1-10H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate?
tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate has a molecular weight of 374.59 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate is sourced from PubChem (CID 10595600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).