tricyclopentyloxy(3-iodopropyl)silane

C18H33IO3Si — CID 23341345

IUPACtricyclopentyloxy(3-iodopropyl)silane
SMILESICCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H33IO3Si/c19-14-7-15-23(20-16-8-1-2-9-16,21-17-10-3-4-11-17)22-18-12-5-6-13-18/h16-18H,1-15H2
InChIKeyMHFPKMCWMOHZRY-UHFFFAOYSA-N
MW452.45 g/mol
LogP5.63
Rot. Bonds9

About tricyclopentyloxy(3-iodopropyl)silane

tricyclopentyloxy(3-iodopropyl)silane (PubChem CID 23341345) has the molecular formula C18H33IO3Si and a molecular weight of 452.45 g/mol. Its IUPAC name is tricyclopentyloxy(3-iodopropyl)silane.

Molecular Properties

Compound Nametricyclopentyloxy(3-iodopropyl)silane
PubChem CID23341345
Molecular FormulaC18H33IO3Si
Molecular Weight452.45 g/mol
Exact Mass452.12
IUPAC Nametricyclopentyloxy(3-iodopropyl)silane
SMILESICCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1
InChIInChI=1S/C18H33IO3Si/c19-14-7-15-23(20-16-8-1-2-9-16,21-17-10-3-4-11-17)22-18-12-5-6-13-18/h16-18H,1-15H2
InChIKeyMHFPKMCWMOHZRY-UHFFFAOYSA-N
XLogP5.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 tricyclopentyloxy(3-iodopropyl)silane?
The IUPAC name of tricyclopentyloxy(3-iodopropyl)silane (CID 23341345) is tricyclopentyloxy(3-iodopropyl)silane.
What is the SMILES notation for tricyclopentyloxy(3-iodopropyl)silane?
The canonical SMILES for tricyclopentyloxy(3-iodopropyl)silane is ICCC[Si](OC1CCCC1)(OC1CCCC1)OC1CCCC1.
What is the InChIKey of tricyclopentyloxy(3-iodopropyl)silane?
The InChIKey is MHFPKMCWMOHZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33IO3Si/c19-14-7-15-23(20-16-8-1-2-9-16,21-17-10-3-4-11-17)22-18-12-5-6-13-18/h16-18H,1-15H2.
What are the key properties of tricyclopentyloxy(3-iodopropyl)silane?
tricyclopentyloxy(3-iodopropyl)silane has a molecular weight of 452.45 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclopentyloxy(3-iodopropyl)silane is sourced from PubChem (CID 23341345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).