tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane

C13H29IOSi — CID 11473751

IUPACtert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane
SMILESC[C@H](CI)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29IOSi/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyOWWVMWAMFLWHIG-NWDGAFQWSA-N
MW356.36 g/mol
LogP5.11
Rot. Bonds6

About tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane

tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane (PubChem CID 11473751) has the molecular formula C13H29IOSi and a molecular weight of 356.36 g/mol. Its IUPAC name is tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane
PubChem CID11473751
Molecular FormulaC13H29IOSi
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Nametert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane
SMILESC[C@H](CI)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H29IOSi/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1
InChIKeyOWWVMWAMFLWHIG-NWDGAFQWSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.11
H-Bond Donors ≤ 50
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 tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane (CID 11473751) is tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane is C[C@H](CI)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane?
The InChIKey is OWWVMWAMFLWHIG-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H29IOSi/c1-11(9-14)8-12(2)10-15-16(6,7)13(3,4)5/h11-12H,8-10H2,1-7H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane?
tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane has a molecular weight of 356.36 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S)-5-iodo-2,4-dimethylpentoxy]-dimethylsilane is sourced from PubChem (CID 11473751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).