di(butan-2-yloxy)-butyl-ethylsilane

C14H32O2Si — CID 87899726

IUPACdi(butan-2-yloxy)-butyl-ethylsilane
SMILESCCCC[Si](CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C14H32O2Si/c1-7-11-12-17(10-4,15-13(5)8-2)16-14(6)9-3/h13-14H,7-12H2,1-6H3
InChIKeyNOOIXDLXQGRDSV-UHFFFAOYSA-N
MW260.49 g/mol
LogP4.88
Rot. Bonds10

About di(butan-2-yloxy)-butyl-ethylsilane

di(butan-2-yloxy)-butyl-ethylsilane (PubChem CID 87899726) has the molecular formula C14H32O2Si and a molecular weight of 260.49 g/mol. Its IUPAC name is di(butan-2-yloxy)-butyl-ethylsilane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-butyl-ethylsilane
PubChem CID87899726
Molecular FormulaC14H32O2Si
Molecular Weight260.49 g/mol
Exact Mass260.22
IUPAC Namedi(butan-2-yloxy)-butyl-ethylsilane
SMILESCCCC[Si](CC)(OC(C)CC)OC(C)CC
InChIInChI=1S/C14H32O2Si/c1-7-11-12-17(10-4,15-13(5)8-2)16-14(6)9-3/h13-14H,7-12H2,1-6H3
InChIKeyNOOIXDLXQGRDSV-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.88
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 di(butan-2-yloxy)-butyl-ethylsilane?
The IUPAC name of di(butan-2-yloxy)-butyl-ethylsilane (CID 87899726) is di(butan-2-yloxy)-butyl-ethylsilane.
What is the SMILES notation for di(butan-2-yloxy)-butyl-ethylsilane?
The canonical SMILES for di(butan-2-yloxy)-butyl-ethylsilane is CCCC[Si](CC)(OC(C)CC)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)-butyl-ethylsilane?
The InChIKey is NOOIXDLXQGRDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O2Si/c1-7-11-12-17(10-4,15-13(5)8-2)16-14(6)9-3/h13-14H,7-12H2,1-6H3.
What are the key properties of di(butan-2-yloxy)-butyl-ethylsilane?
di(butan-2-yloxy)-butyl-ethylsilane has a molecular weight of 260.49 g/mol, XLogP of 4.88, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-butyl-ethylsilane is sourced from PubChem (CID 87899726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).