(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one

C15H32O7Si — CID 10948163

IUPAC(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
SMILESCOCO[C@H](C(=O)CO)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O7Si/c1-15(2,3)23(6,7)22-9-13(20-10-18-4)14(12(17)8-16)21-11-19-5/h13-14,16H,8-11H2,1-7H3/t13-,14-/m1/s1
InChIKeyRKBFJBVXXZWMNQ-ZIAGYGMSSA-N
MW352.50 g/mol
LogP1.55
Rot. Bonds12

About (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one

(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one (PubChem CID 10948163) has the molecular formula C15H32O7Si and a molecular weight of 352.50 g/mol. Its IUPAC name is (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one.

Molecular Properties

Compound Name(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
PubChem CID10948163
Molecular FormulaC15H32O7Si
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
SMILESCOCO[C@H](C(=O)CO)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C15H32O7Si/c1-15(2,3)23(6,7)22-9-13(20-10-18-4)14(12(17)8-16)21-11-19-5/h13-14,16H,8-11H2,1-7H3/t13-,14-/m1/s1
InChIKeyRKBFJBVXXZWMNQ-ZIAGYGMSSA-N
XLogP1.55
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863
[(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3,4-bis(methoxymethoxy)-2-oxopentyl] 3-oxooctanoate
CID 11103032
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
3-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-4-hexanoyl-2H-furan-5-one
CID 11038087
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
1-[tert-butyl(dimethyl)silyl]oxy-2-methylpentan-3-one
CID 72819705
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
CID 101151250
(3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutan-2-one
CID 11672982
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
CID 101412599
[(2R,3S)-3-bromo-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl] acetate
CID 23254785

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one?
The IUPAC name of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one (CID 10948163) is (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one.
What is the SMILES notation for (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one?
The canonical SMILES for (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one is COCO[C@H](C(=O)CO)[C@@H](CO[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one?
The InChIKey is RKBFJBVXXZWMNQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H32O7Si/c1-15(2,3)23(6,7)22-9-13(20-10-18-4)14(12(17)8-16)21-11-19-5/h13-14,16H,8-11H2,1-7H3/t13-,14-/m1/s1.
What are the key properties of (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one?
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one has a molecular weight of 352.50 g/mol, XLogP of 1.55, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one is sourced from PubChem (CID 10948163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).