2-ethylhexoxy-dimethyl-propoxysilane

C13H30O2Si — CID 91736722

IUPAC2-ethylhexoxy-dimethyl-propoxysilane
SMILESCCCCC(CC)CO[Si](C)(C)OCCC
InChIInChI=1S/C13H30O2Si/c1-6-9-10-13(8-3)12-15-16(4,5)14-11-7-2/h13H,6-12H2,1-5H3
InChIKeyCWZQYAZQQIKAJF-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.35
Rot. Bonds10

About 2-ethylhexoxy-dimethyl-propoxysilane

2-ethylhexoxy-dimethyl-propoxysilane (PubChem CID 91736722) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is 2-ethylhexoxy-dimethyl-propoxysilane.

Molecular Properties

Compound Name2-ethylhexoxy-dimethyl-propoxysilane
PubChem CID91736722
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name2-ethylhexoxy-dimethyl-propoxysilane
SMILESCCCCC(CC)CO[Si](C)(C)OCCC
InChIInChI=1S/C13H30O2Si/c1-6-9-10-13(8-3)12-15-16(4,5)14-11-7-2/h13H,6-12H2,1-5H3
InChIKeyCWZQYAZQQIKAJF-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.35
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-ethylhexoxy-dimethyl-propoxysilane?
The IUPAC name of 2-ethylhexoxy-dimethyl-propoxysilane (CID 91736722) is 2-ethylhexoxy-dimethyl-propoxysilane.
What is the SMILES notation for 2-ethylhexoxy-dimethyl-propoxysilane?
The canonical SMILES for 2-ethylhexoxy-dimethyl-propoxysilane is CCCCC(CC)CO[Si](C)(C)OCCC.
What is the InChIKey of 2-ethylhexoxy-dimethyl-propoxysilane?
The InChIKey is CWZQYAZQQIKAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-6-9-10-13(8-3)12-15-16(4,5)14-11-7-2/h13H,6-12H2,1-5H3.
What are the key properties of 2-ethylhexoxy-dimethyl-propoxysilane?
2-ethylhexoxy-dimethyl-propoxysilane has a molecular weight of 246.47 g/mol, XLogP of 4.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-dimethyl-propoxysilane is sourced from PubChem (CID 91736722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).