(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one

C16H32O5Si — CID 134934698

IUPAC(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
SMILESCC(=O)C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-11(17)9-12(18)14-13(20-16(5,6)21-14)10-19-22(7,8)15(2,3)4/h12-14,18H,9-10H2,1-8H3/t12-,13-,14-/m0/s1
InChIKeyFQIKIWYRYVCXPZ-IHRRRGAJSA-N
MW332.51 g/mol
LogP2.87
Rot. Bonds6

About (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one

(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one (PubChem CID 134934698) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
PubChem CID134934698
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
SMILESCC(=O)C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-11(17)9-12(18)14-13(20-16(5,6)21-14)10-19-22(7,8)15(2,3)4/h12-14,18H,9-10H2,1-8H3/t12-,13-,14-/m0/s1
InChIKeyFQIKIWYRYVCXPZ-IHRRRGAJSA-N
XLogP2.87
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxypentan-1-one
CID 21600674
(4S,5S)-5-[[2-[(3R)-3-[tert-butyl(dimethyl)silyl]oxybutyl]-1,3-dioxolan-2-yl]methyl]-4-hydroxyoxolan-2-one
CID 46180492
(3S,4R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 102575499
5-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
CID 134845826
(4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 134934693
(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one
CID 134934791
(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4-methylpentan-3-one
CID 134934800
(1S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4,4-dimethylpentan-3-one
CID 134934881
(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxy-4,4-dimethylpentan-3-one
CID 134934893
(4S,5S,6S)-6-(tert-butyldimethylsilyloxy)-6-((S)-2,2-dimetyhl-1,3-dioxolan-4-yl)-5-hydroxy-4-methylhexan-3-one
CID 139091134
8-t-Butyldimethylsilyloxy-1-(2,2-Dimethyl-1,3-Dioxolan-4-yl)-2-Hydroxyoctan-4-One
CID 10317308
(3R,4S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 58479494

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one?
The IUPAC name of (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one (CID 134934698) is (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one.
What is the SMILES notation for (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one?
The canonical SMILES for (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one is CC(=O)C[C@H](O)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one?
The InChIKey is FQIKIWYRYVCXPZ-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-11(17)9-12(18)14-13(20-16(5,6)21-14)10-19-22(7,8)15(2,3)4/h12-14,18H,9-10H2,1-8H3/t12-,13-,14-/m0/s1.
What are the key properties of (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one?
(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one has a molecular weight of 332.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one is sourced from PubChem (CID 134934698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).