(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

C19H38O5Si — CID 134934893

IUPAC(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
SMILESCC1(C)O[C@@H]([C@H](O)CC(=O)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O5Si/c1-17(2,3)15(21)11-13(20)16-14(23-19(7,8)24-16)12-22-25(9,10)18(4,5)6/h13-14,16,20H,11-12H2,1-10H3/t13-,14+,16+/m1/s1
InChIKeyHKMMDCYTKCFCOQ-YCPHGPKFSA-N
MW374.59 g/mol
LogP3.89
Rot. Bonds6

About (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

(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 (PubChem CID 134934893) has the molecular formula C19H38O5Si and a molecular weight of 374.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID134934893
Molecular FormulaC19H38O5Si
Molecular Weight374.59 g/mol
Exact Mass374.25
IUPAC Name(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
SMILESCC1(C)O[C@@H]([C@H](O)CC(=O)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O5Si/c1-17(2,3)15(21)11-13(20)16-14(23-19(7,8)24-16)12-22-25(9,10)18(4,5)6/h13-14,16,20H,11-12H2,1-10H3/t13-,14+,16+/m1/s1
InChIKeyHKMMDCYTKCFCOQ-YCPHGPKFSA-N
XLogP3.89
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.59
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(1S,2S,4S)-1-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-1-hydroxy-2,5,5-trimethyl-4-trimethylsilyloxyhexan-3-one
CID 134846360
(4R)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 134934693
(4S)-4-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxybutan-2-one
CID 134934698
(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
(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
(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
CID 58479496
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypentan-3-one
CID 58479497
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-1-dimethylsilyloxy-2-hydroxy-9,9-dimethyldecan-4-one
CID 173396993
8-[Tert-butyl(dimethyl)silyl]oxy-1-(2,2-diethyl-1,3-dioxolan-4-yl)-2-hydroxyoctan-4-one
CID 10386422

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@@H]([C@H](O)CC(=O)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (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?
The InChIKey is HKMMDCYTKCFCOQ-YCPHGPKFSA-N. The full InChI is InChI=1S/C19H38O5Si/c1-17(2,3)15(21)11-13(20)16-14(23-19(7,8)24-16)12-22-25(9,10)18(4,5)6/h13-14,16,20H,11-12H2,1-10H3/t13-,14+,16+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 374.59 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 134934893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).