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

C15H28O5Si — CID 10990729

IUPAC(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione
SMILESCC(=O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O5Si/c1-10(16)12(17)13(11-9-18-15(5,6)19-11)20-21(7,8)14(2,3)4/h11,13H,9H2,1-8H3/t11-,13-/m1/s1
InChIKeyHRCODFGMUAEOEG-DGCLKSJQSA-N
MW316.47 g/mol
LogP2.69
Rot. Bonds5

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

(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione (PubChem CID 10990729) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione.

Molecular Properties

Compound Name(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione
PubChem CID10990729
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione
SMILESCC(=O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O5Si/c1-10(16)12(17)13(11-9-18-15(5,6)19-11)20-21(7,8)14(2,3)4/h11,13H,9H2,1-8H3/t11-,13-/m1/s1
InChIKeyHRCODFGMUAEOEG-DGCLKSJQSA-N
XLogP2.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propanal
CID 11162038
1-[(4R,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134839849
1-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-1,3-dioxolan-2-yl]propan-2-one
CID 134856017
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
2-[(4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 146166570
5-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 58750323
(4S,5S)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 59466677
2-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]acetaldehyde
CID 102147340
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-2-iodoethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 157261517
1-[(4S,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 158426082
1-[(2S)-3-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]ethanone
CID 168819978
1-[(4S,5R)-2,2-dimethyl-5-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxolan-4-yl]ethanone
CID 10806362

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione?
The IUPAC name of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione (CID 10990729) is (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione.
What is the SMILES notation for (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione?
The canonical SMILES for (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione is CC(=O)C(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione?
The InChIKey is HRCODFGMUAEOEG-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-10(16)12(17)13(11-9-18-15(5,6)19-11)20-21(7,8)14(2,3)4/h11,13H,9H2,1-8H3/t11-,13-/m1/s1.
What are the key properties of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione?
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione has a molecular weight of 316.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-2,3-dione is sourced from PubChem (CID 10990729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).