(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one

C16H28O5Si — CID 11077979

IUPAC(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C16H28O5Si/c1-8-11-9-12(17)18-14(11)15(21-22(5,6)7)13-10(2)19-16(3,4)20-13/h8,10-11,13-15H,1,9H2,2-7H3/t10-,11+,13+,14+,15+/m1/s1
InChIKeyIKVCMMSZEVXSRN-GCPZOVCVSA-N
MW328.48 g/mol
LogP2.86
Rot. Bonds5

About (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one

(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one (PubChem CID 11077979) has the molecular formula C16H28O5Si and a molecular weight of 328.48 g/mol. Its IUPAC name is (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one
PubChem CID11077979
Molecular FormulaC16H28O5Si
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one
SMILESC=C[C@H]1CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C
InChIInChI=1S/C16H28O5Si/c1-8-11-9-12(17)18-14(11)15(21-22(5,6)7)13-10(2)19-16(3,4)20-13/h8,10-11,13-15H,1,9H2,2-7H3/t10-,11+,13+,14+,15+/m1/s1
InChIKeyIKVCMMSZEVXSRN-GCPZOVCVSA-N
XLogP2.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-[(4R,5S)-2,2-dimethyl-5-[(1R,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-1,3-dioxolan-4-yl]-4-methoxybutanal
CID 11957837
(4S,5R)-4-[[(2R,3S,6R)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl]-3-methoxy-3-methyloxan-2-yl]methyl]-5-[(1R,2S)-1-(methoxymethoxy)-2-methylbut-3-enyl]oxolan-2-one
CID 134951435
(1R,3S,7R,8R,9S,10E,13S,14R,17S)-13-[tert-butyl(dimethyl)silyl]oxy-17-methoxy-8-(methoxymethoxy)-9,13,17-trimethyl-6,18-dioxatricyclo[12.3.1.03,7]octadec-10-en-5-one
CID 134951436
(4S,5R)-5-[(1R,2S)-1-(methoxymethoxy)-2-methylbut-3-enyl]-4-[[(2R,3R,6R)-6-[(2S)-2-methoxypent-4-en-2-yl]-3-methyl-3-triethylsilyloxyoxan-2-yl]methyl]oxolan-2-one
CID 135025521
(4R,5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methyl]-4-ethenyloxolan-2-one
CID 10872353
(3R)-3-[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-2-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethyl]pent-4-enal
CID 11101112
methyl (1S,3aS,4R,5R,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 10503266
methyl (1S,3aR,4R,5S,7aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 10503267
methyl (1S,3aS,4S,5R,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 10527092
methyl (1S,3aR,4R,5R,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 10551104
methyl (2S,3S)-2-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-2-yl]-3-methyl-2H-furan-3-carboxylate
CID 10741207
methyl (1S,3aR,4S,5R,7aS)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate
CID 10836851

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one?
The IUPAC name of (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one (CID 11077979) is (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one.
What is the SMILES notation for (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one?
The canonical SMILES for (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one is C=C[C@H]1CC(=O)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H]1OC(C)(C)O[C@@H]1C.
What is the InChIKey of (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one?
The InChIKey is IKVCMMSZEVXSRN-GCPZOVCVSA-N. The full InChI is InChI=1S/C16H28O5Si/c1-8-11-9-12(17)18-14(11)15(21-22(5,6)7)13-10(2)19-16(3,4)20-13/h8,10-11,13-15H,1,9H2,2-7H3/t10-,11+,13+,14+,15+/m1/s1.
What are the key properties of (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one?
(4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one has a molecular weight of 328.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-ethenyl-5-[(R)-[(4S,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]oxolan-2-one is sourced from PubChem (CID 11077979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).