2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid

C10H21IO3Si — CID 154140046

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CCI)C(=O)O
InChIInChI=1S/C10H21IO3Si/c1-10(2,3)15(4,5)14-8(6-7-11)9(12)13/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyCEBAWSYYPPSBKX-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.29
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid

2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid (PubChem CID 154140046) has the molecular formula C10H21IO3Si and a molecular weight of 344.27 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid
PubChem CID154140046
Molecular FormulaC10H21IO3Si
Molecular Weight344.27 g/mol
Exact Mass344.03
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OC(CCI)C(=O)O
InChIInChI=1S/C10H21IO3Si/c1-10(2,3)15(4,5)14-8(6-7-11)9(12)13/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyCEBAWSYYPPSBKX-UHFFFAOYSA-N
XLogP3.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
tert-butyl-(5-iodo-2-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 53392287
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentan-2-one
CID 10633359
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
tert-butyl-[(3R)-1-iodopentan-3-yl]oxy-dimethylsilane
CID 15939181
2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
CID 87165682
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
CID 162715349

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid (CID 154140046) is 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid is CC(C)(C)[Si](C)(C)OC(CCI)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid?
The InChIKey is CEBAWSYYPPSBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21IO3Si/c1-10(2,3)15(4,5)14-8(6-7-11)9(12)13/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid has a molecular weight of 344.27 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid is sourced from PubChem (CID 154140046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).