[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane

C15H29IOSi — CID 57294731

IUPAC[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane
SMILESC=C(I)C1(O[Si](C)(C)C)CCCCC1CCCC
InChIInChI=1S/C15H29IOSi/c1-6-7-10-14-11-8-9-12-15(14,13(2)16)17-18(3,4)5/h14H,2,6-12H2,1,3-5H3
InChIKeyQNULMEMFBUIRLH-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.91
Rot. Bonds6

About [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane

[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane (PubChem CID 57294731) has the molecular formula C15H29IOSi and a molecular weight of 380.39 g/mol. Its IUPAC name is [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane
PubChem CID57294731
Molecular FormulaC15H29IOSi
Molecular Weight380.39 g/mol
Exact Mass380.10
IUPAC Name[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane
SMILESC=C(I)C1(O[Si](C)(C)C)CCCCC1CCCC
InChIInChI=1S/C15H29IOSi/c1-6-7-10-14-11-8-9-12-15(14,13(2)16)17-18(3,4)5/h14H,2,6-12H2,1,3-5H3
InChIKeyQNULMEMFBUIRLH-UHFFFAOYSA-N
XLogP5.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.91
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 [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane?
The IUPAC name of [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane (CID 57294731) is [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane is C=C(I)C1(O[Si](C)(C)C)CCCCC1CCCC.
What is the InChIKey of [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane?
The InChIKey is QNULMEMFBUIRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29IOSi/c1-6-7-10-14-11-8-9-12-15(14,13(2)16)17-18(3,4)5/h14H,2,6-12H2,1,3-5H3.
What are the key properties of [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane?
[2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane has a molecular weight of 380.39 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-1-(1-iodoethenyl)cyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 57294731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).