tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane

C16H33IOSi — CID 134846992

IUPACtert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CI
InChIInChI=1S/C16H33IOSi/c1-8-9-10-11-15(14(2)12-13-17)18-19(6,7)16(3,4)5/h12,15H,8-11,13H2,1-7H3/b14-12-
InChIKeyHUQPRENDWYPWGS-OWBHPGMISA-N
MW396.43 g/mol
LogP6.34
Rot. Bonds8

About tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane

tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane (PubChem CID 134846992) has the molecular formula C16H33IOSi and a molecular weight of 396.43 g/mol. Its IUPAC name is tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
PubChem CID134846992
Molecular FormulaC16H33IOSi
Molecular Weight396.43 g/mol
Exact Mass396.13
IUPAC Nametert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
SMILESCCCCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CI
InChIInChI=1S/C16H33IOSi/c1-8-9-10-11-15(14(2)12-13-17)18-19(6,7)16(3,4)5/h12,15H,8-11,13H2,1-7H3/b14-12-
InChIKeyHUQPRENDWYPWGS-OWBHPGMISA-N
XLogP6.34
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 ≤ 56.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-one
CID 46237114
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
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methyl (2E,4Z,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-iodotetradeca-2,4-dienoate
CID 135015261
tert-butyl-(1-iodooct-1-en-3-yloxy)-dimethylsilane
CID 53400857
tert-butyl-dimethyl-pentadecan-2-yloxysilane
CID 6430239
tert-butyl-dimethyl-tridecan-2-yloxysilane
CID 102272520
(2S)-2-[tert-butyl(dimethyl)silyl]oxyheptanal
CID 10490533
tert-butyl-[(6R,7S)-7-iodododecan-6-yl]oxy-dimethylsilane
CID 15315171
tert-butyl-dimethyl-(2-methylhex-1-en-3-yloxy)silane
CID 101446444
2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
tert-butyl-(5-iodo-2-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 53392287
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane (CID 134846992) is tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane is CCCCCC(O[Si](C)(C)C(C)(C)C)/C(C)=C\CI.
What is the InChIKey of tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane?
The InChIKey is HUQPRENDWYPWGS-OWBHPGMISA-N. The full InChI is InChI=1S/C16H33IOSi/c1-8-9-10-11-15(14(2)12-13-17)18-19(6,7)16(3,4)5/h12,15H,8-11,13H2,1-7H3/b14-12-.
What are the key properties of tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane?
tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane has a molecular weight of 396.43 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 134846992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).