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

C17H34O4Si — CID 59071259

IUPAC(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one
SMILESCCC(=O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-13(18)12(2)15-14(20-17(6,7)21-15)11-19-22(8,9)16(3,4)5/h12,14-15H,10-11H2,1-9H3/t12-,14-,15+/m0/s1
InChIKeyLIAGKCPPDNLJHS-AEGPPILISA-N
MW330.54 g/mol
LogP4.14
Rot. Bonds6

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

(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one (PubChem CID 59071259) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one.

Molecular Properties

Compound Name(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one
PubChem CID59071259
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one
SMILESCCC(=O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-10-13(18)12(2)15-14(20-17(6,7)21-15)11-19-22(8,9)16(3,4)5/h12,14-15H,10-11H2,1-9H3/t12-,14-,15+/m0/s1
InChIKeyLIAGKCPPDNLJHS-AEGPPILISA-N
XLogP4.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3-dimethylbutanal
CID 134870777
(4S,5S,6S)-6-(tert-butyldimethylsilyloxy)-6-((S)-2,2-dimetyhl-1,3-dioxolan-4-yl)-5-hydroxy-4-methylhexan-3-one
CID 139091134
(3S,4R)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(2-methoxyethoxymethoxy)oxolan-2-one
CID 18657608
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-3-one
CID 59071244
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)hexanoic acid
CID 67266110
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hexanoic acid
CID 67266113
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhexan-3-one
CID 159714620
(1R)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-methoxy-4-methylpentan-2-one
CID 174152009
(3S,4S)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-tri(propan-2-yl)silyloxypentanal
CID 175882115
(4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)heptan-2-one
CID 10882496
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-6-[(1R,5S)-5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl]hexan-3-one
CID 11361185
1-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-one
CID 11514980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one?
The IUPAC name of (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one (CID 59071259) is (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one.
What is the SMILES notation for (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one?
The canonical SMILES for (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one is CCC(=O)[C@H](C)[C@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one?
The InChIKey is LIAGKCPPDNLJHS-AEGPPILISA-N. The full InChI is InChI=1S/C17H34O4Si/c1-10-13(18)12(2)15-14(20-17(6,7)21-15)11-19-22(8,9)16(3,4)5/h12,14-15H,10-11H2,1-9H3/t12-,14-,15+/m0/s1.
What are the key properties of (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one?
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one has a molecular weight of 330.54 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-3-one is sourced from PubChem (CID 59071259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).