silylmethyl 4-iodobenzoate

C8H9IO2Si — CID 157209971

IUPACsilylmethyl 4-iodobenzoate
SMILESO=C(OC[SiH3])c1ccc(I)cc1
InChIInChI=1S/C8H9IO2Si/c9-7-3-1-6(2-4-7)8(10)11-5-12/h1-4H,5H2,12H3
InChIKeyLFCMNSHSJXGXAV-UHFFFAOYSA-N
MW292.15 g/mol
LogP0.77
Rot. Bonds2

About silylmethyl 4-iodobenzoate

silylmethyl 4-iodobenzoate (PubChem CID 157209971) has the molecular formula C8H9IO2Si and a molecular weight of 292.15 g/mol. Its IUPAC name is silylmethyl 4-iodobenzoate.

Molecular Properties

Compound Namesilylmethyl 4-iodobenzoate
PubChem CID157209971
Molecular FormulaC8H9IO2Si
Molecular Weight292.15 g/mol
Exact Mass291.94
IUPAC Namesilylmethyl 4-iodobenzoate
SMILESO=C(OC[SiH3])c1ccc(I)cc1
InChIInChI=1S/C8H9IO2Si/c9-7-3-1-6(2-4-7)8(10)11-5-12/h1-4H,5H2,12H3
InChIKeyLFCMNSHSJXGXAV-UHFFFAOYSA-N
XLogP0.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-iodobenzoyl) 4-iodobenzenecarboperoxoate
CID 141495091
4-iodobenzenecarboperoxoic acid
CID 22125857
2-trimethylsilylethyl 4-iodobenzoate
CID 11290981
ethyl 4-[(4-iodobenzoyl)amino]benzoate
CID 1372273
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
2-methylbutyl 4-iodobenzoate
CID 71343005
[2-(carbamoylamino)-2-oxoethyl] 4-iodobenzoate
CID 2469650
hexadecyl 4-iodobenzoate
CID 68623259
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
(2,6-dichlorophenyl)methyl 4-iodobenzoate
CID 2409698
2-[ethyl(methyl)amino]ethyl 4-iodobenzoate
CID 170392957
dodecyl 4-(4-iodophenyl)benzoate
CID 121325045

Frequently Asked Questions

What is the IUPAC name of silylmethyl 4-iodobenzoate?
The IUPAC name of silylmethyl 4-iodobenzoate (CID 157209971) is silylmethyl 4-iodobenzoate.
What is the SMILES notation for silylmethyl 4-iodobenzoate?
The canonical SMILES for silylmethyl 4-iodobenzoate is O=C(OC[SiH3])c1ccc(I)cc1.
What is the InChIKey of silylmethyl 4-iodobenzoate?
The InChIKey is LFCMNSHSJXGXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IO2Si/c9-7-3-1-6(2-4-7)8(10)11-5-12/h1-4H,5H2,12H3.
What are the key properties of silylmethyl 4-iodobenzoate?
silylmethyl 4-iodobenzoate has a molecular weight of 292.15 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silylmethyl 4-iodobenzoate is sourced from PubChem (CID 157209971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).