tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane

C18H39IOSi — CID 15315171

IUPACtert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
SMILESCCCCC[C@H](I)[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39IOSi/c1-8-10-12-14-16(19)17(15-13-11-9-2)20-21(6,7)18(3,4)5/h16-17H,8-15H2,1-7H3/t16-,17+/m0/s1
InChIKeyGAEIWQINHGTNME-DLBZAZTESA-N
MW426.50 g/mol
LogP7.34
Rot. Bonds11

About tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane

tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane (PubChem CID 15315171) has the molecular formula C18H39IOSi and a molecular weight of 426.50 g/mol. Its IUPAC name is tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
PubChem CID15315171
Molecular FormulaC18H39IOSi
Molecular Weight426.50 g/mol
Exact Mass426.18
IUPAC Nametert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
SMILESCCCCC[C@H](I)[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39IOSi/c1-8-10-12-14-16(19)17(15-13-11-9-2)20-21(6,7)18(3,4)5/h16-17H,8-15H2,1-7H3/t16-,17+/m0/s1
InChIKeyGAEIWQINHGTNME-DLBZAZTESA-N
XLogP7.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 57.34
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

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tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 134846992
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane (CID 15315171) is tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane is CCCCC[C@H](I)[C@@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane?
The InChIKey is GAEIWQINHGTNME-DLBZAZTESA-N. The full InChI is InChI=1S/C18H39IOSi/c1-8-10-12-14-16(19)17(15-13-11-9-2)20-21(6,7)18(3,4)5/h16-17H,8-15H2,1-7H3/t16-,17+/m0/s1.
What are the key properties of tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane?
tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane has a molecular weight of 426.50 g/mol, XLogP of 7.34, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 15315171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).