ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate

C12H25IO3Si — CID 11090030

IUPACethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate
SMILESCCOC(=O)C[C@H](CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IO3Si/c1-7-15-11(14)8-10(9-13)16-17(5,6)12(2,3)4/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyRCVVWCMVUWAYMO-SNVBAGLBSA-N
MW372.32 g/mol
LogP3.77
Rot. Bonds6

About ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate

ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate (PubChem CID 11090030) has the molecular formula C12H25IO3Si and a molecular weight of 372.32 g/mol. Its IUPAC name is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate
PubChem CID11090030
Molecular FormulaC12H25IO3Si
Molecular Weight372.32 g/mol
Exact Mass372.06
IUPAC Nameethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate
SMILESCCOC(=O)C[C@H](CI)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25IO3Si/c1-7-15-11(14)8-10(9-13)16-17(5,6)12(2,3)4/h10H,7-9H2,1-6H3/t10-/m1/s1
InChIKeyRCVVWCMVUWAYMO-SNVBAGLBSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Butanoic acid, 3-trimethylsilyloxy-, ethyl ester
CID 554460
Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Ethyl 3(S)-(tert-butyldimethylsilyloxy)-4-iodobutyrate
CID 58160169
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorobutanoate
CID 140438619
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-, methyl ester
CID 560751
ethyl (S)-3-t-butyldimethylsilyloxybutanoate
CID 11817463
Ethyl 3-triethylsilylperoxybutanoate
CID 85612775
ethyl (3S)-3-trimethylsilyloxybutanoate
CID 101671320
2-Methylbutanoic acid, 3-t-butyldimethylsilyloxy-, ethyl ester
CID 554454
Methyl 3-[(trimethylsilyl)oxy]butanoate
CID 560665

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate?
The IUPAC name of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate (CID 11090030) is ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate.
What is the SMILES notation for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate?
The canonical SMILES for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate is CCOC(=O)C[C@H](CI)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate?
The InChIKey is RCVVWCMVUWAYMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25IO3Si/c1-7-15-11(14)8-10(9-13)16-17(5,6)12(2,3)4/h10H,7-9H2,1-6H3/t10-/m1/s1.
What are the key properties of ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate?
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate has a molecular weight of 372.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoate is sourced from PubChem (CID 11090030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).