[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane

C14H27IOSi — CID 88778216

IUPAC[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane
SMILESCCCC[C@@H]1CCC[C@]1(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-5-6-8-13-9-7-10-14(13,11-12-15)16-17(2,3)4/h11-13H,5-10H2,1-4H3/b12-11+/t13-,14-/m1/s1
InChIKeyWAEMCVHGOAFHIO-MRUDHYOASA-N
MW366.36 g/mol
LogP5.52
Rot. Bonds6

About [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane

[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane (PubChem CID 88778216) has the molecular formula C14H27IOSi and a molecular weight of 366.36 g/mol. Its IUPAC name is [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane
PubChem CID88778216
Molecular FormulaC14H27IOSi
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane
SMILESCCCC[C@@H]1CCC[C@]1(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C14H27IOSi/c1-5-6-8-13-9-7-10-14(13,11-12-15)16-17(2,3)4/h11-13H,5-10H2,1-4H3/b12-11+/t13-,14-/m1/s1
InChIKeyWAEMCVHGOAFHIO-MRUDHYOASA-N
XLogP5.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.52
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 [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane?
The IUPAC name of [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane (CID 88778216) is [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane is CCCC[C@@H]1CCC[C@]1(/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane?
The InChIKey is WAEMCVHGOAFHIO-MRUDHYOASA-N. The full InChI is InChI=1S/C14H27IOSi/c1-5-6-8-13-9-7-10-14(13,11-12-15)16-17(2,3)4/h11-13H,5-10H2,1-4H3/b12-11+/t13-,14-/m1/s1.
What are the key properties of [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane?
[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane has a molecular weight of 366.36 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 88778216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).