4-iodo-1-trimethylsilylbutan-1-ol

C7H17IOSi — CID 18922705

IUPAC4-iodo-1-trimethylsilylbutan-1-ol
SMILESC[Si](C)(C)C(O)CCCI
InChIInChI=1S/C7H17IOSi/c1-10(2,3)7(9)5-4-6-8/h7,9H,4-6H2,1-3H3
InChIKeyMBDGCPHJXUAULL-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.44
Rot. Bonds4

About 4-iodo-1-trimethylsilylbutan-1-ol

4-iodo-1-trimethylsilylbutan-1-ol (PubChem CID 18922705) has the molecular formula C7H17IOSi and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-iodo-1-trimethylsilylbutan-1-ol.

Molecular Properties

Compound Name4-iodo-1-trimethylsilylbutan-1-ol
PubChem CID18922705
Molecular FormulaC7H17IOSi
Molecular Weight272.20 g/mol
Exact Mass272.01
IUPAC Name4-iodo-1-trimethylsilylbutan-1-ol
SMILESC[Si](C)(C)C(O)CCCI
InChIInChI=1S/C7H17IOSi/c1-10(2,3)7(9)5-4-6-8/h7,9H,4-6H2,1-3H3
InChIKeyMBDGCPHJXUAULL-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-trimethylsilylbutan-1-ol?
The IUPAC name of 4-iodo-1-trimethylsilylbutan-1-ol (CID 18922705) is 4-iodo-1-trimethylsilylbutan-1-ol.
What is the SMILES notation for 4-iodo-1-trimethylsilylbutan-1-ol?
The canonical SMILES for 4-iodo-1-trimethylsilylbutan-1-ol is C[Si](C)(C)C(O)CCCI.
What is the InChIKey of 4-iodo-1-trimethylsilylbutan-1-ol?
The InChIKey is MBDGCPHJXUAULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17IOSi/c1-10(2,3)7(9)5-4-6-8/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-iodo-1-trimethylsilylbutan-1-ol?
4-iodo-1-trimethylsilylbutan-1-ol has a molecular weight of 272.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-trimethylsilylbutan-1-ol is sourced from PubChem (CID 18922705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).