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

C12H21IOSi — CID 134983258

IUPACtert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=C1C[C@H](O[Si](C)(C)C(C)(C)C)C=C1I
InChIInChI=1S/C12H21IOSi/c1-9-7-10(8-11(9)13)14-15(5,6)12(2,3)4/h8,10H,1,7H2,2-6H3/t10-/m0/s1
InChIKeyCFXKSSMAWLXMAU-JTQLQIEISA-N
MW336.29 g/mol
LogP4.66
Rot. Bonds2

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

tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane (PubChem CID 134983258) has the molecular formula C12H21IOSi and a molecular weight of 336.29 g/mol. Its IUPAC name is tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
PubChem CID134983258
Molecular FormulaC12H21IOSi
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Nametert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane
SMILESC=C1C[C@H](O[Si](C)(C)C(C)(C)C)C=C1I
InChIInChI=1S/C12H21IOSi/c1-9-7-10(8-11(9)13)14-15(5,6)12(2,3)4/h8,10H,1,7H2,2-6H3/t10-/m0/s1
InChIKeyCFXKSSMAWLXMAU-JTQLQIEISA-N
XLogP4.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane (CID 134983258) is tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane is C=C1C[C@H](O[Si](C)(C)C(C)(C)C)C=C1I.
What is the InChIKey of tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is CFXKSSMAWLXMAU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21IOSi/c1-9-7-10(8-11(9)13)14-15(5,6)12(2,3)4/h8,10H,1,7H2,2-6H3/t10-/m0/s1.
What are the key properties of tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane?
tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 336.29 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-3-iodo-4-methylidenecyclopent-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 134983258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).