tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane

C22H43IO2Si — CID 85201151

IUPACtert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane
SMILESCCCCCCCCC(I)C(OC1C=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43IO2Si/c1-7-8-9-10-11-15-18-20(23)21(24-19-16-13-12-14-17-19)25-26(5,6)22(2,3)4/h13,16,19-21H,7-12,14-15,17-18H2,1-6H3
InChIKeyLZONMLMFCRJPRY-UHFFFAOYSA-N
MW494.57 g/mol
LogP8.01
Rot. Bonds12

About tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane

tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane (PubChem CID 85201151) has the molecular formula C22H43IO2Si and a molecular weight of 494.57 g/mol. Its IUPAC name is tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane
PubChem CID85201151
Molecular FormulaC22H43IO2Si
Molecular Weight494.57 g/mol
Exact Mass494.21
IUPAC Nametert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane
SMILESCCCCCCCCC(I)C(OC1C=CCCC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43IO2Si/c1-7-8-9-10-11-15-18-20(23)21(24-19-16-13-12-14-17-19)25-26(5,6)22(2,3)4/h13,16,19-21H,7-12,14-15,17-18H2,1-6H3
InChIKeyLZONMLMFCRJPRY-UHFFFAOYSA-N
XLogP8.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane (CID 85201151) is tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane is CCCCCCCCC(I)C(OC1C=CCCC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane?
The InChIKey is LZONMLMFCRJPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43IO2Si/c1-7-8-9-10-11-15-18-20(23)21(24-19-16-13-12-14-17-19)25-26(5,6)22(2,3)4/h13,16,19-21H,7-12,14-15,17-18H2,1-6H3.
What are the key properties of tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane?
tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane has a molecular weight of 494.57 g/mol, XLogP of 8.01, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-cyclohex-2-en-1-yloxy-2-iododecoxy)-dimethylsilane is sourced from PubChem (CID 85201151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).