2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol

C16H27IO3Si — CID 66956755

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(CO)COc1ccc(I)cc1
InChIInChI=1S/C16H27IO3Si/c1-16(2,3)21(4,5)20-12-13(10-18)11-19-15-8-6-14(17)7-9-15/h6-9,13,18H,10-12H2,1-5H3
InChIKeyLISJLDJPZPFZQD-UHFFFAOYSA-N
MW422.38 g/mol
LogP4.30
Rot. Bonds7

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol (PubChem CID 66956755) has the molecular formula C16H27IO3Si and a molecular weight of 422.38 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
PubChem CID66956755
Molecular FormulaC16H27IO3Si
Molecular Weight422.38 g/mol
Exact Mass422.08
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC(CO)COc1ccc(I)cc1
InChIInChI=1S/C16H27IO3Si/c1-16(2,3)21(4,5)20-12-13(10-18)11-19-15-8-6-14(17)7-9-15/h6-9,13,18H,10-12H2,1-5H3
InChIKeyLISJLDJPZPFZQD-UHFFFAOYSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol (CID 66956755) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol is CC(C)(C)[Si](C)(C)OCC(CO)COc1ccc(I)cc1.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol?
The InChIKey is LISJLDJPZPFZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27IO3Si/c1-16(2,3)21(4,5)20-12-13(10-18)11-19-15-8-6-14(17)7-9-15/h6-9,13,18H,10-12H2,1-5H3.
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol has a molecular weight of 422.38 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(4-iodophenoxy)propan-1-ol is sourced from PubChem (CID 66956755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).