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

C19H36O5Si — CID 11349294

IUPAC(4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one
SMILESCCC(=O)[C@H](C)C[C@]1(C)OC(=O)O[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-10-15(20)13(2)11-19(7)16(23-17(21)24-19)14(3)12-22-25(8,9)18(4,5)6/h13-14,16H,10-12H2,1-9H3/t13-,14+,16-,19+/m1/s1
InChIKeyFYZTVHLNYWMZTR-DZASIIFFSA-N
MW372.58 g/mol
LogP4.94
Rot. Bonds8

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

(4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one (PubChem CID 11349294) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one
PubChem CID11349294
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one
SMILESCCC(=O)[C@H](C)C[C@]1(C)OC(=O)O[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36O5Si/c1-10-15(20)13(2)11-19(7)16(23-17(21)24-19)14(3)12-22-25(8,9)18(4,5)6/h13-14,16H,10-12H2,1-9H3/t13-,14+,16-,19+/m1/s1
InChIKeyFYZTVHLNYWMZTR-DZASIIFFSA-N
XLogP4.94
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R,3S,7R,8R,9S,13S,14R,17R)-13-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-17-triethylsilyloxy-6,18-dioxatricyclo[12.3.1.03,7]octadecan-5-one
CID 135025771
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 11330018
(2R)-2-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methylhexan-3-one
CID 159714620
ethyl (4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dimethyl-3-oxohexanoate
CID 10811853
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]octanal
CID 10949071
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-(2-oxohexyl)oxolan-2-one
CID 10969529
(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5R)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
CID 11072176
(2S,6R,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(4R,5S)-2,2-dimethyl-5-propan-2-yl-1,3-dioxolan-4-yl]-2,6,10-trimethylundecan-4-one
CID 11135851
4-[(4S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-one
CID 11961781
2-[5-[1-[Tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 14105470
(2R)-2-[(4R,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]pentan-3-one
CID 14105472
methyl (2R,3S,4S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-9-[(4S,5R)-5-ethyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]-2,4,6-trimethyl-7-oxononanoate
CID 23253343

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one?
The IUPAC name of (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one (CID 11349294) is (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one.
What is the SMILES notation for (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one?
The canonical SMILES for (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one is CCC(=O)[C@H](C)C[C@]1(C)OC(=O)O[C@@H]1[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one?
The InChIKey is FYZTVHLNYWMZTR-DZASIIFFSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-10-15(20)13(2)11-19(7)16(23-17(21)24-19)14(3)12-22-25(8,9)18(4,5)6/h13-14,16H,10-12H2,1-9H3/t13-,14+,16-,19+/m1/s1.
What are the key properties of (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one?
(4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one has a molecular weight of 372.58 g/mol, XLogP of 4.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-4-methyl-4-[(2R)-2-methyl-3-oxopentyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 11349294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).