[1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane

C14H25IOSi — CID 20565020

IUPAC[1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane
SMILESCCCCC1(C(C#CI)O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H25IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h13H,5-7,9-11H2,1-4H3
InChIKeyZIWYVGNDGRXPQU-UHFFFAOYSA-N
MW364.34 g/mol
LogP4.96
Rot. Bonds6

About [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane

[1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane (PubChem CID 20565020) has the molecular formula C14H25IOSi and a molecular weight of 364.34 g/mol. Its IUPAC name is [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane.

Molecular Properties

Compound Name[1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane
PubChem CID20565020
Molecular FormulaC14H25IOSi
Molecular Weight364.34 g/mol
Exact Mass364.07
IUPAC Name[1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane
SMILESCCCCC1(C(C#CI)O[Si](C)(C)C)CCC1
InChIInChI=1S/C14H25IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h13H,5-7,9-11H2,1-4H3
InChIKeyZIWYVGNDGRXPQU-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 54.96
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane?
The IUPAC name of [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane (CID 20565020) is [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane.
What is the SMILES notation for [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane?
The canonical SMILES for [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane is CCCCC1(C(C#CI)O[Si](C)(C)C)CCC1.
What is the InChIKey of [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane?
The InChIKey is ZIWYVGNDGRXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25IOSi/c1-5-6-9-14(10-7-11-14)13(8-12-15)16-17(2,3)4/h13H,5-7,9-11H2,1-4H3.
What are the key properties of [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane?
[1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane has a molecular weight of 364.34 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-butylcyclobutyl)-3-iodoprop-2-ynoxy]-trimethylsilane is sourced from PubChem (CID 20565020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).