4-(oxiran-2-yl)butyl-propylsilane

C9H20OSi — CID 175559363

IUPAC4-(oxiran-2-yl)butyl-propylsilane
SMILESCCC[SiH2]CCCCC1CO1
InChIInChI=1S/C9H20OSi/c1-2-6-11-7-4-3-5-9-8-10-9/h9H,2-8,11H2,1H3
InChIKeyCCOOWSDTHGAYAT-UHFFFAOYSA-N
MW172.34 g/mol
LogP1.97
Rot. Bonds7

About 4-(oxiran-2-yl)butyl-propylsilane

4-(oxiran-2-yl)butyl-propylsilane (PubChem CID 175559363) has the molecular formula C9H20OSi and a molecular weight of 172.34 g/mol. Its IUPAC name is 4-(oxiran-2-yl)butyl-propylsilane.

Molecular Properties

Compound Name4-(oxiran-2-yl)butyl-propylsilane
PubChem CID175559363
Molecular FormulaC9H20OSi
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name4-(oxiran-2-yl)butyl-propylsilane
SMILESCCC[SiH2]CCCCC1CO1
InChIInChI=1S/C9H20OSi/c1-2-6-11-7-4-3-5-9-8-10-9/h9H,2-8,11H2,1H3
InChIKeyCCOOWSDTHGAYAT-UHFFFAOYSA-N
XLogP1.97
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxiran-2-yl)butyl-propylsilane?
The IUPAC name of 4-(oxiran-2-yl)butyl-propylsilane (CID 175559363) is 4-(oxiran-2-yl)butyl-propylsilane.
What is the SMILES notation for 4-(oxiran-2-yl)butyl-propylsilane?
The canonical SMILES for 4-(oxiran-2-yl)butyl-propylsilane is CCC[SiH2]CCCCC1CO1.
What is the InChIKey of 4-(oxiran-2-yl)butyl-propylsilane?
The InChIKey is CCOOWSDTHGAYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20OSi/c1-2-6-11-7-4-3-5-9-8-10-9/h9H,2-8,11H2,1H3.
What are the key properties of 4-(oxiran-2-yl)butyl-propylsilane?
4-(oxiran-2-yl)butyl-propylsilane has a molecular weight of 172.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxiran-2-yl)butyl-propylsilane is sourced from PubChem (CID 175559363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).