[1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane

C13H25IOSi — CID 161452081

IUPAC[1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane
SMILESCCCC1CCC(/C=C/I)(O[Si](C)(C)C)C1
InChIInChI=1S/C13H25IOSi/c1-5-6-12-7-8-13(11-12,9-10-14)15-16(2,3)4/h9-10,12H,5-8,11H2,1-4H3/b10-9+
InChIKeyWAQWANDIMILMAM-MDZDMXLPSA-N
MW352.33 g/mol
LogP5.13
Rot. Bonds5

About [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane

[1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane (PubChem CID 161452081) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane
PubChem CID161452081
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name[1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane
SMILESCCCC1CCC(/C=C/I)(O[Si](C)(C)C)C1
InChIInChI=1S/C13H25IOSi/c1-5-6-12-7-8-13(11-12,9-10-14)15-16(2,3)4/h9-10,12H,5-8,11H2,1-4H3/b10-9+
InChIKeyWAQWANDIMILMAM-MDZDMXLPSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.33
LogP ≤ 55.13
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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Related Compounds

[2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane
CID 20298915
[(E)-1-iodo-3-methyldec-1-en-3-yl]oxy-trimethylsilane
CID 20565038
(1-Iodo-3-methyldec-1-en-3-yl)oxy-trimethylsilane
CID 54029064
(2-Cyclopentyl-5-iodopent-4-en-2-yl)oxy-trimethylsilane
CID 54062638
[(1R,2R)-2-butyl-1-(2-iodoethenyl)cyclopentyl]oxy-trimethylsilane
CID 54420095
[1-(2-Iodoethenyl)-3-propylcyclopentyl]oxy-trimethylsilane
CID 57093497
[2-Butyl-1-(2-iodoethenyl)cyclopentyl]oxy-trimethylsilane
CID 57217968
[(1S,2R)-2-butyl-1-[(E)-2-iodoethenyl]cyclopentyl]oxy-trimethylsilane
CID 88778216
[(E)-1-iodo-3-methylnon-1-en-3-yl]oxy-trimethylsilane
CID 140333156
[(1S,2R)-2-butyl-1-(2-iodoethenyl)cyclopentyl]oxy-trimethylsilane
CID 173441532
[(1R,2R,3R)-1,3-bis(ethenyl)-2-prop-2-enylcyclopentyl]oxy-trimethylsilane
CID 10777104
[(1S,2S,3S)-1,3-bis(ethenyl)-2-prop-2-enylcyclopentyl]oxy-trimethylsilane
CID 101943797

Frequently Asked Questions

What is the IUPAC name of [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane?
The IUPAC name of [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane (CID 161452081) is [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane.
What is the SMILES notation for [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane?
The canonical SMILES for [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane is CCCC1CCC(/C=C/I)(O[Si](C)(C)C)C1.
What is the InChIKey of [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane?
The InChIKey is WAQWANDIMILMAM-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-5-6-12-7-8-13(11-12,9-10-14)15-16(2,3)4/h9-10,12H,5-8,11H2,1-4H3/b10-9+.
What are the key properties of [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane?
[1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane has a molecular weight of 352.33 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-2-iodoethenyl]-3-propylcyclopentyl]oxy-trimethylsilane is sourced from PubChem (CID 161452081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).