(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one

C15H28O5Si — CID 11109889

IUPAC(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one
SMILESC[C@H]1[C@H]([C@H](O[Si](C)(C)C)[C@H]2COC(C)(C)O2)OC(=O)[C@@H]1C
InChIInChI=1S/C15H28O5Si/c1-9-10(2)14(16)18-12(9)13(20-21(5,6)7)11-8-17-15(3,4)19-11/h9-13H,8H2,1-7H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyXWIWIKNUQZQTQE-SYLRKERUSA-N
MW316.47 g/mol
LogP2.56
Rot. Bonds4

About (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one

(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one (PubChem CID 11109889) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one
PubChem CID11109889
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one
SMILESC[C@H]1[C@H]([C@H](O[Si](C)(C)C)[C@H]2COC(C)(C)O2)OC(=O)[C@@H]1C
InChIInChI=1S/C15H28O5Si/c1-9-10(2)14(16)18-12(9)13(20-21(5,6)7)11-8-17-15(3,4)19-11/h9-13H,8H2,1-7H3/t9-,10-,11-,12-,13-/m1/s1
InChIKeyXWIWIKNUQZQTQE-SYLRKERUSA-N
XLogP2.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

(2R,3aR,6aS)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-6a-methyl-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 155934217
(3R,3aR,6aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-6a-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2,3,3a,4-tetrahydrofuro[2,3-b]furan-5-one
CID 155934539
ethyl 2-[(2S,3S,4R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyloxolan-3-yl]acetate
CID 59906174
(3S)-3-methyl-5-[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 68035040
ethyl 2-((3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)acetate
CID 90042502
(4R,5S)-4-methyl-5-[(4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 138511659
(4S,5S)-5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one
CID 173208042
5-(1-Dimethylsilyloxy-2,2-dimethylpropyl)-4-(1,3-dioxolan-2-yl)oxolan-2-one
CID 173210548
ethyl 2-[(3aR,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate
CID 173796284
(5R)-5-[(S)-[tert-butyl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10568450
4-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10735209
(5S)-5-[(R)-[tert-butyl(dimethyl)silyl]oxy-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxolan-2-one
CID 10782678

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one?
The IUPAC name of (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one (CID 11109889) is (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one is C[C@H]1[C@H]([C@H](O[Si](C)(C)C)[C@H]2COC(C)(C)O2)OC(=O)[C@@H]1C.
What is the InChIKey of (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one?
The InChIKey is XWIWIKNUQZQTQE-SYLRKERUSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-9-10(2)14(16)18-12(9)13(20-21(5,6)7)11-8-17-15(3,4)19-11/h9-13H,8H2,1-7H3/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one?
(3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one has a molecular weight of 316.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-trimethylsilyloxymethyl]-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 11109889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).