tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane

C16H33IOSi — CID 10524787

IUPACtert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI
InChIInChI=1S/C16H33IOSi/c1-9-13(2)10-11-15(14(3)12-17)18-19(7,8)16(4,5)6/h9,13-15H,1,10-12H2,2-8H3/t13-,14-,15+/m1/s1
InChIKeyZCCFOUUOKPALQY-KFWWJZLASA-N
MW396.43 g/mol
LogP6.05
Rot. Bonds8

About tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane (PubChem CID 10524787) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
PubChem CID10524787
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Nametert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI
InChIInChI=1S/C16H33IOSi/c1-9-13(2)10-11-15(14(3)12-17)18-19(7,8)16(4,5)6/h9,13-15H,1,10-12H2,2-8H3/t13-,14-,15+/m1/s1
InChIKeyZCCFOUUOKPALQY-KFWWJZLASA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 56.05
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2S,3R)-2-iodohex-5-en-3-yl]oxy-dimethylsilane
CID 102090847
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-ol
CID 72722963
(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodohex-5-en-2-ol
CID 71819486
tert-butyl-[(2S)-4-iodobutan-2-yl]oxy-dimethylsilane
CID 10946949
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
tert-butyl-(4-iodobutan-2-yloxy)-dimethylsilane
CID 11130810
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-iodohept-6-en-1-ol
CID 102090845
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
tert-butyl-[(2S,3S)-3-ethenylhex-5-en-2-yl]oxy-dimethylsilane
CID 134863816
(2R,5S,6R,9R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,6-dimethyl-7-oxotetradec-13-enal
CID 134948843

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane (CID 10524787) is tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane is C=C[C@@H](C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CI.
What is the InChIKey of tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
The InChIKey is ZCCFOUUOKPALQY-KFWWJZLASA-N. The full InChI is InChI=1S/C16H33IOSi/c1-9-13(2)10-11-15(14(3)12-17)18-19(7,8)16(4,5)6/h9,13-15H,1,10-12H2,2-8H3/t13-,14-,15+/m1/s1.
What are the key properties of tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane has a molecular weight of 396.43 g/mol, XLogP of 6.05, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,6S)-1-iodo-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10524787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).