ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate

C15H29IO4Si — CID 11487175

IUPACethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CI)O1
InChIInChI=1S/C15H29IO4Si/c1-7-18-14(17)9-11-8-12(13(10-16)19-11)20-21(5,6)15(2,3)4/h11-13H,7-10H2,1-6H3/t11-,12+,13-/m1/s1
InChIKeyGAFBPHUFYPSTGE-FRRDWIJNSA-N
MW428.38 g/mol
LogP3.92
Rot. Bonds6

About ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate

ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate (PubChem CID 11487175) has the molecular formula C15H29IO4Si and a molecular weight of 428.38 g/mol. Its IUPAC name is ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate
PubChem CID11487175
Molecular FormulaC15H29IO4Si
Molecular Weight428.38 g/mol
Exact Mass428.09
IUPAC Nameethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate
SMILESCCOC(=O)C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CI)O1
InChIInChI=1S/C15H29IO4Si/c1-7-18-14(17)9-11-8-12(13(10-16)19-11)20-21(5,6)15(2,3)4/h11-13H,7-10H2,1-6H3/t11-,12+,13-/m1/s1
InChIKeyGAFBPHUFYPSTGE-FRRDWIJNSA-N
XLogP3.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 71733140
(2R,3S,3aR,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 102341292
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
(5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl]oxolan-2-one
CID 58570960
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371671
Methyl 3-[tert-butyl(dimethyl)silyl]oxy-4-(2-methyl-1,3-dioxolan-2-yl)butanoate
CID 90371732
Ethyl 2-[4-acetyloxy-5-(iodomethyl)oxolan-2-yl]acetate
CID 129054214
[(4R,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-7-methyl-2-oxooxepan-4-yl] acetate
CID 10936005
2-[(2S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyloxolan-2-yl]acetic acid
CID 23726631
ethyl 2-[(4S)-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-yl]acetate
CID 101135037
methyl 2-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxypentyl]oxolan-2-yl]acetate
CID 101731374
methyl 2-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]acetate
CID 101731375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate?
The IUPAC name of ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate (CID 11487175) is ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate is CCOC(=O)C[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CI)O1.
What is the InChIKey of ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate?
The InChIKey is GAFBPHUFYPSTGE-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H29IO4Si/c1-7-18-14(17)9-11-8-12(13(10-16)19-11)20-21(5,6)15(2,3)4/h11-13H,7-10H2,1-6H3/t11-,12+,13-/m1/s1.
What are the key properties of ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate?
ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate has a molecular weight of 428.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-(iodomethyl)oxolan-2-yl]acetate is sourced from PubChem (CID 11487175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).