tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane

C26H57IOSiSn — CID 10462015

IUPACtert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane
SMILESCCCCCC(CC(I)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30IOSi.3C4H9.Sn/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4;3*1-3-4-2;/h12-13H,7-11H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyDRDQCAVBFKHROF-UHFFFAOYSA-N
MW659.44 g/mol
LogP10.54
Rot. Bonds18

About tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane

tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane (PubChem CID 10462015) has the molecular formula C26H57IOSiSn and a molecular weight of 659.44 g/mol. Its IUPAC name is tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane
PubChem CID10462015
Molecular FormulaC26H57IOSiSn
Molecular Weight659.44 g/mol
Exact Mass660.22
IUPAC Nametert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane
SMILESCCCCCC(CC(I)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30IOSi.3C4H9.Sn/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4;3*1-3-4-2;/h12-13H,7-11H2,1-6H3;3*1,3-4H2,2H3;
InChIKeyDRDQCAVBFKHROF-UHFFFAOYSA-N
XLogP10.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.44
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-iodoheptan-2-yl]oxy-dimethylsilane
CID 154722299
tert-butyl-[(3S)-2-fluoro-1-iodooctan-3-yl]oxy-dimethylsilane
CID 139650853
2-decanol, tBDMS
CID 6430226
3-Octanol, tert-butyldimethylsilyl ether
CID 21575279
9-Iodo-10-trimethylsilyloxyoctadecane
CID 12652949
Tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxy-6-iodohexan-3-yl]oxy-dimethylsilane
CID 85399718
tert-butyl-[(4R)-1-iodononan-4-yl]oxy-dimethylsilane
CID 101808239
Tert-butyl-(11-iodoundecoxy)-dimethylsilane
CID 176434438
2-dodecanol, tBDMS
CID 6430227
2-hexadecanol, tBDMS
CID 6430229
2-pentadecanol, tBDMS
CID 6430239
2-tetradecanol, tBDMS
CID 6430240

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane (CID 10462015) is tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane is CCCCCC(CC(I)[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane?
The InChIKey is DRDQCAVBFKHROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30IOSi.3C4H9.Sn/c1-7-8-9-10-13(11-12-15)16-17(5,6)14(2,3)4;3*1-3-4-2;/h12-13H,7-11H2,1-6H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane?
tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane has a molecular weight of 659.44 g/mol, XLogP of 10.54, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-iodo-1-tributylstannyloctan-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 10462015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).