2-butyl-1,1-diethoxy-6-ethylsilinane

C15H32O2Si — CID 22141460

IUPAC2-butyl-1,1-diethoxy-6-ethylsilinane
SMILESCCCCC1CCCC(CC)[Si]1(OCC)OCC
InChIInChI=1S/C15H32O2Si/c1-5-9-11-15-13-10-12-14(6-2)18(15,16-7-3)17-8-4/h14-15H,5-13H2,1-4H3
InChIKeyIPVNSAXWAAZHTE-UHFFFAOYSA-N
MW272.50 g/mol
LogP5.03
Rot. Bonds8

About 2-butyl-1,1-diethoxy-6-ethylsilinane

2-butyl-1,1-diethoxy-6-ethylsilinane (PubChem CID 22141460) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is 2-butyl-1,1-diethoxy-6-ethylsilinane.

Molecular Properties

Compound Name2-butyl-1,1-diethoxy-6-ethylsilinane
PubChem CID22141460
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name2-butyl-1,1-diethoxy-6-ethylsilinane
SMILESCCCCC1CCCC(CC)[Si]1(OCC)OCC
InChIInChI=1S/C15H32O2Si/c1-5-9-11-15-13-10-12-14(6-2)18(15,16-7-3)17-8-4/h14-15H,5-13H2,1-4H3
InChIKeyIPVNSAXWAAZHTE-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.50
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,1-diethoxy-6-ethylsilinane?
The IUPAC name of 2-butyl-1,1-diethoxy-6-ethylsilinane (CID 22141460) is 2-butyl-1,1-diethoxy-6-ethylsilinane.
What is the SMILES notation for 2-butyl-1,1-diethoxy-6-ethylsilinane?
The canonical SMILES for 2-butyl-1,1-diethoxy-6-ethylsilinane is CCCCC1CCCC(CC)[Si]1(OCC)OCC.
What is the InChIKey of 2-butyl-1,1-diethoxy-6-ethylsilinane?
The InChIKey is IPVNSAXWAAZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-5-9-11-15-13-10-12-14(6-2)18(15,16-7-3)17-8-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-butyl-1,1-diethoxy-6-ethylsilinane?
2-butyl-1,1-diethoxy-6-ethylsilinane has a molecular weight of 272.50 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,1-diethoxy-6-ethylsilinane is sourced from PubChem (CID 22141460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).