3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane

C13H29IOSi — CID 134852142

IUPAC3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane
SMILESCC(C)CCCC(C)CCO[Si](C)(C)CI
InChIInChI=1S/C13H29IOSi/c1-12(2)7-6-8-13(3)9-10-15-16(4,5)11-14/h12-13H,6-11H2,1-5H3
InChIKeyYGEUFECQWXWAGI-UHFFFAOYSA-N
MW356.36 g/mol
LogP5.03
Rot. Bonds9

About 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane

3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane (PubChem CID 134852142) has the molecular formula C13H29IOSi and a molecular weight of 356.36 g/mol. Its IUPAC name is 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane.

Molecular Properties

Compound Name3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane
PubChem CID134852142
Molecular FormulaC13H29IOSi
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane
SMILESCC(C)CCCC(C)CCO[Si](C)(C)CI
InChIInChI=1S/C13H29IOSi/c1-12(2)7-6-8-13(3)9-10-15-16(4,5)11-14/h12-13H,6-11H2,1-5H3
InChIKeyYGEUFECQWXWAGI-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.36
LogP ≤ 55.03
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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Related Compounds

Silane, [(2-ethylhexyl)oxy]trimethyl-
CID 554452
tert-butyl-dimethyl-[(3S)-3-methylundecoxy]silane
CID 11312646
Tert-butyl-(cyclooctylmethoxy)-dimethylsilane
CID 70178639
(s)-t-Butyl(dimethyl)[(13-methylheptadecyl)oxy]silane
CID 146679947
Silane, dimethyl(2-ethylhexyloxy)octyloxy-
CID 91741662
Silane, dimethyl(2-ethylhexyloxy)nonyloxy-
CID 91742289
Silane, dimethyl(2-ethylhexyloxy)decyloxy-
CID 91742827
Silane, dimethyl(2-ethylhexyloxy)undecyloxy-
CID 91743364
Silane, dimethyl(2-ethylhexyloxy)dodecyloxy-
CID 91743791
Silane, dimethyl(2-ethylhexyloxy)tridecyloxy-
CID 91744152
Silane, dimethyl(2-ethylhexyloxy)pentadecyloxy-
CID 91744742
Silane, dimethyl(2-ethylhexyloxy)hexadecyloxy-
CID 91745003

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane?
The IUPAC name of 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane (CID 134852142) is 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane.
What is the SMILES notation for 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane?
The canonical SMILES for 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane is CC(C)CCCC(C)CCO[Si](C)(C)CI.
What is the InChIKey of 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane?
The InChIKey is YGEUFECQWXWAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29IOSi/c1-12(2)7-6-8-13(3)9-10-15-16(4,5)11-14/h12-13H,6-11H2,1-5H3.
What are the key properties of 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane?
3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane has a molecular weight of 356.36 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloctoxy-(iodomethyl)-dimethylsilane is sourced from PubChem (CID 134852142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).