3-silylpropyl 2-iodo-4-methylbenzoate

C11H15IO2Si — CID 157154881

IUPAC3-silylpropyl 2-iodo-4-methylbenzoate
SMILESCc1ccc(C(=O)OCCC[SiH3])c(I)c1
InChIInChI=1S/C11H15IO2Si/c1-8-3-4-9(10(12)7-8)11(13)14-5-2-6-15/h3-4,7H,2,5-6H2,1,15H3
InChIKeyWXCBWFFJOBRETI-UHFFFAOYSA-N
MW334.23 g/mol
LogP1.93
Rot. Bonds4

About 3-silylpropyl 2-iodo-4-methylbenzoate

3-silylpropyl 2-iodo-4-methylbenzoate (PubChem CID 157154881) has the molecular formula C11H15IO2Si and a molecular weight of 334.23 g/mol. Its IUPAC name is 3-silylpropyl 2-iodo-4-methylbenzoate.

Molecular Properties

Compound Name3-silylpropyl 2-iodo-4-methylbenzoate
PubChem CID157154881
Molecular FormulaC11H15IO2Si
Molecular Weight334.23 g/mol
Exact Mass333.99
IUPAC Name3-silylpropyl 2-iodo-4-methylbenzoate
SMILESCc1ccc(C(=O)OCCC[SiH3])c(I)c1
InChIInChI=1S/C11H15IO2Si/c1-8-3-4-9(10(12)7-8)11(13)14-5-2-6-15/h3-4,7H,2,5-6H2,1,15H3
InChIKeyWXCBWFFJOBRETI-UHFFFAOYSA-N
XLogP1.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
butyl 4-bromo-2-iodobenzoate
CID 177237835
butyl 4-(2-ethoxy-2-oxoethoxy)-2-iodobenzoate
CID 175308384
3-silylpropyl 3-hydroxy-2-iodobenzoate
CID 162159681
2-O-hexyl 1-O-methyl 4-methylbenzene-1,2-dicarboxylate
CID 175410101
2-iodo-4-methylbenzoic acid
CID 4285392
decyl 2-amino-5-methylbenzoate
CID 65455832
3-bromopropyl 2,5-dimethylbenzoate
CID 101290090
6-(2-iodobenzoyl)oxyhexyl 2-iodobenzoate
CID 4926782
2-methoxyethyl 2-fluoro-4-methylbenzoate
CID 79872980
butyl 1,6-dimethylindole-3-carboxylate
CID 135059388
3-oxopropyl 2,4-dimethylbenzoate
CID 175056992

Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl 2-iodo-4-methylbenzoate?
The IUPAC name of 3-silylpropyl 2-iodo-4-methylbenzoate (CID 157154881) is 3-silylpropyl 2-iodo-4-methylbenzoate.
What is the SMILES notation for 3-silylpropyl 2-iodo-4-methylbenzoate?
The canonical SMILES for 3-silylpropyl 2-iodo-4-methylbenzoate is Cc1ccc(C(=O)OCCC[SiH3])c(I)c1.
What is the InChIKey of 3-silylpropyl 2-iodo-4-methylbenzoate?
The InChIKey is WXCBWFFJOBRETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IO2Si/c1-8-3-4-9(10(12)7-8)11(13)14-5-2-6-15/h3-4,7H,2,5-6H2,1,15H3.
What are the key properties of 3-silylpropyl 2-iodo-4-methylbenzoate?
3-silylpropyl 2-iodo-4-methylbenzoate has a molecular weight of 334.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl 2-iodo-4-methylbenzoate is sourced from PubChem (CID 157154881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).