(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane

C13H30O2Si — CID 86080050

IUPAC(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane
SMILESCCCOCC(C)(C)CO[Si](C)(C)CCC
InChIInChI=1S/C13H30O2Si/c1-7-9-14-11-13(3,4)12-15-16(5,6)10-8-2/h7-12H2,1-6H3
InChIKeyUKKPHLBJNSQGOY-UHFFFAOYSA-N
MW246.47 g/mol
LogP4.07
Rot. Bonds9

About (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane

(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane (PubChem CID 86080050) has the molecular formula C13H30O2Si and a molecular weight of 246.47 g/mol. Its IUPAC name is (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane.

Molecular Properties

Compound Name(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane
PubChem CID86080050
Molecular FormulaC13H30O2Si
Molecular Weight246.47 g/mol
Exact Mass246.20
IUPAC Name(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane
SMILESCCCOCC(C)(C)CO[Si](C)(C)CCC
InChIInChI=1S/C13H30O2Si/c1-7-9-14-11-13(3,4)12-15-16(5,6)10-8-2/h7-12H2,1-6H3
InChIKeyUKKPHLBJNSQGOY-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.47
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane?
The IUPAC name of (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane (CID 86080050) is (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane.
What is the SMILES notation for (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane?
The canonical SMILES for (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane is CCCOCC(C)(C)CO[Si](C)(C)CCC.
What is the InChIKey of (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane?
The InChIKey is UKKPHLBJNSQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O2Si/c1-7-9-14-11-13(3,4)12-15-16(5,6)10-8-2/h7-12H2,1-6H3.
What are the key properties of (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane?
(2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane has a molecular weight of 246.47 g/mol, XLogP of 4.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-propoxypropoxy)-dimethyl-propylsilane is sourced from PubChem (CID 86080050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).