3-silylpropyl 3-hydroxy-2-iodobenzoate

C10H13IO3Si — CID 162159681

IUPAC3-silylpropyl 3-hydroxy-2-iodobenzoate
SMILESO=C(OCCC[SiH3])c1cccc(O)c1I
InChIInChI=1S/C10H13IO3Si/c11-9-7(3-1-4-8(9)12)10(13)14-5-2-6-15/h1,3-4,12H,2,5-6H2,15H3
InChIKeyPWUPOZBXZSRDOZ-UHFFFAOYSA-N
MW336.20 g/mol
LogP1.33
Rot. Bonds4

About 3-silylpropyl 3-hydroxy-2-iodobenzoate

3-silylpropyl 3-hydroxy-2-iodobenzoate (PubChem CID 162159681) has the molecular formula C10H13IO3Si and a molecular weight of 336.20 g/mol. Its IUPAC name is 3-silylpropyl 3-hydroxy-2-iodobenzoate.

Molecular Properties

Compound Name3-silylpropyl 3-hydroxy-2-iodobenzoate
PubChem CID162159681
Molecular FormulaC10H13IO3Si
Molecular Weight336.20 g/mol
Exact Mass335.97
IUPAC Name3-silylpropyl 3-hydroxy-2-iodobenzoate
SMILESO=C(OCCC[SiH3])c1cccc(O)c1I
InChIInChI=1S/C10H13IO3Si/c11-9-7(3-1-4-8(9)12)10(13)14-5-2-6-15/h1,3-4,12H,2,5-6H2,15H3
InChIKeyPWUPOZBXZSRDOZ-UHFFFAOYSA-N
XLogP1.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-silylpropyl 2-hydroxy-4-iodobenzoate
CID 162159674
3-silylpropyl 2-iodo-4-methylbenzoate
CID 157154881
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
2-fluoroethyl 2-hydroxybenzoate
CID 158044446
hexadecyl 2,3-dihydroxybenzoate
CID 14177662
pentadecyl 2,3-dihydroxybenzoate
CID 154094059
dihexyl 3-hydroxybenzene-1,2-dicarboxylate
CID 151135672
hexacosyl 2-hydroxybenzoate
CID 19044965
icosyl 2-hydroxybenzoate
CID 19044963
benzene;butyl 2-hydroxybenzoate;carbonic acid
CID 158989973
hexyl 2-hydroxybenzoate
CID 22629
butyl 2-hydroxybenzoate;carbonic acid
CID 146405927

Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl 3-hydroxy-2-iodobenzoate?
The IUPAC name of 3-silylpropyl 3-hydroxy-2-iodobenzoate (CID 162159681) is 3-silylpropyl 3-hydroxy-2-iodobenzoate.
What is the SMILES notation for 3-silylpropyl 3-hydroxy-2-iodobenzoate?
The canonical SMILES for 3-silylpropyl 3-hydroxy-2-iodobenzoate is O=C(OCCC[SiH3])c1cccc(O)c1I.
What is the InChIKey of 3-silylpropyl 3-hydroxy-2-iodobenzoate?
The InChIKey is PWUPOZBXZSRDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IO3Si/c11-9-7(3-1-4-8(9)12)10(13)14-5-2-6-15/h1,3-4,12H,2,5-6H2,15H3.
What are the key properties of 3-silylpropyl 3-hydroxy-2-iodobenzoate?
3-silylpropyl 3-hydroxy-2-iodobenzoate has a molecular weight of 336.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 3-hydroxy-2-iodobenzoate is sourced from PubChem (CID 162159681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).