(1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane

C13H27IOSi — CID 54122674

IUPAC(1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane
SMILESCCCC(C)(C)C(CC=CI)O[Si](C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-10-13(2,3)12(9-8-11-14)15-16(4,5)6/h8,11-12H,7,9-10H2,1-6H3
InChIKeyNOVFVCULWSBCQC-UHFFFAOYSA-N
MW354.35 g/mol
LogP5.37
Rot. Bonds7

About (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane

(1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane (PubChem CID 54122674) has the molecular formula C13H27IOSi and a molecular weight of 354.35 g/mol. Its IUPAC name is (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane.

Molecular Properties

Compound Name(1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane
PubChem CID54122674
Molecular FormulaC13H27IOSi
Molecular Weight354.35 g/mol
Exact Mass354.09
IUPAC Name(1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane
SMILESCCCC(C)(C)C(CC=CI)O[Si](C)(C)C
InChIInChI=1S/C13H27IOSi/c1-7-10-13(2,3)12(9-8-11-14)15-16(4,5)6/h8,11-12H,7,9-10H2,1-6H3
InChIKeyNOVFVCULWSBCQC-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane?
The IUPAC name of (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane (CID 54122674) is (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane.
What is the SMILES notation for (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane?
The canonical SMILES for (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane is CCCC(C)(C)C(CC=CI)O[Si](C)(C)C.
What is the InChIKey of (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane?
The InChIKey is NOVFVCULWSBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27IOSi/c1-7-10-13(2,3)12(9-8-11-14)15-16(4,5)6/h8,11-12H,7,9-10H2,1-6H3.
What are the key properties of (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane?
(1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane has a molecular weight of 354.35 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-5,5-dimethyloct-1-en-4-yl)oxy-trimethylsilane is sourced from PubChem (CID 54122674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).