tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane

C20H39IOSi — CID 88699040

IUPACtert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCCC(/C=C/I)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H39IOSi/c1-7-8-12-15-20(16-17-21,18-13-10-9-11-14-18)22-23(5,6)19(2,3)4/h16-18H,7-15H2,1-6H3/b17-16+
InChIKeyJMJMSYVDPJJUQE-WUKNDPDISA-N
MW450.52 g/mol
LogP7.86
Rot. Bonds8

About tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 88699040) has the molecular formula C20H39IOSi and a molecular weight of 450.52 g/mol. Its IUPAC name is tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane
PubChem CID88699040
Molecular FormulaC20H39IOSi
Molecular Weight450.52 g/mol
Exact Mass450.18
IUPAC Nametert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane
SMILESCCCCCC(/C=C/I)(O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H39IOSi/c1-7-8-12-15-20(16-17-21,18-13-10-9-11-14-18)22-23(5,6)19(2,3)4/h16-18H,7-15H2,1-6H3/b17-16+
InChIKeyJMJMSYVDPJJUQE-WUKNDPDISA-N
XLogP7.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
tert-butyl-(1-cyclopentyl-3-iodoprop-2-enoxy)-dimethylsilane
CID 54075058
6,15-dicyclohexylpentadecan-6-ylcyclohexane
CID 143323723
2,2-dicyclohexyldecanal
CID 88668774
(1-cyclohexyl-1-thiophosphorosooctyl)cyclohexane
CID 70467825
3-cyclohexylnonan-3-ylphosphane
CID 174798619
(1-cyclohexyl-1-pentoxyethyl)cyclohexane
CID 154983829
2-cyclopentyl-2-methyldecanoic acid
CID 175087816
(2S)-10-[tert-butyl(dimethyl)silyl]oxy-10-methyl-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
CID 57214786
(2S,5E,8Z)-10-[tert-butyl(dimethyl)silyl]oxy-10-methyl-2-[(1R)-2-oxocyclopentyl]pentadeca-5,8-dienoic acid
CID 70626752

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane (CID 88699040) is tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane is CCCCCC(/C=C/I)(O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
The InChIKey is JMJMSYVDPJJUQE-WUKNDPDISA-N. The full InChI is InChI=1S/C20H39IOSi/c1-7-8-12-15-20(16-17-21,18-13-10-9-11-14-18)22-23(5,6)19(2,3)4/h16-18H,7-15H2,1-6H3/b17-16+.
What are the key properties of tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 450.52 g/mol, XLogP of 7.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-3-cyclohexyl-1-iodooct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 88699040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).