2-cyclopentylheptyl-dimethoxy-propylsilane

C17H36O2Si — CID 22555855

IUPAC2-cyclopentylheptyl-dimethoxy-propylsilane
SMILESCCCCCC(C[Si](CCC)(OC)OC)C1CCCC1
InChIInChI=1S/C17H36O2Si/c1-5-7-8-13-17(16-11-9-10-12-16)15-20(18-3,19-4)14-6-2/h16-17H,5-15H2,1-4H3
InChIKeyDRJBFJDNCOGWLP-UHFFFAOYSA-N
MW300.56 g/mol
LogP5.52
Rot. Bonds11

About 2-cyclopentylheptyl-dimethoxy-propylsilane

2-cyclopentylheptyl-dimethoxy-propylsilane (PubChem CID 22555855) has the molecular formula C17H36O2Si and a molecular weight of 300.56 g/mol. Its IUPAC name is 2-cyclopentylheptyl-dimethoxy-propylsilane.

Molecular Properties

Compound Name2-cyclopentylheptyl-dimethoxy-propylsilane
PubChem CID22555855
Molecular FormulaC17H36O2Si
Molecular Weight300.56 g/mol
Exact Mass300.25
IUPAC Name2-cyclopentylheptyl-dimethoxy-propylsilane
SMILESCCCCCC(C[Si](CCC)(OC)OC)C1CCCC1
InChIInChI=1S/C17H36O2Si/c1-5-7-8-13-17(16-11-9-10-12-16)15-20(18-3,19-4)14-6-2/h16-17H,5-15H2,1-4H3
InChIKeyDRJBFJDNCOGWLP-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.56
LogP ≤ 55.52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylheptyl-dimethoxy-propylsilane?
The IUPAC name of 2-cyclopentylheptyl-dimethoxy-propylsilane (CID 22555855) is 2-cyclopentylheptyl-dimethoxy-propylsilane.
What is the SMILES notation for 2-cyclopentylheptyl-dimethoxy-propylsilane?
The canonical SMILES for 2-cyclopentylheptyl-dimethoxy-propylsilane is CCCCCC(C[Si](CCC)(OC)OC)C1CCCC1.
What is the InChIKey of 2-cyclopentylheptyl-dimethoxy-propylsilane?
The InChIKey is DRJBFJDNCOGWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2Si/c1-5-7-8-13-17(16-11-9-10-12-16)15-20(18-3,19-4)14-6-2/h16-17H,5-15H2,1-4H3.
What are the key properties of 2-cyclopentylheptyl-dimethoxy-propylsilane?
2-cyclopentylheptyl-dimethoxy-propylsilane has a molecular weight of 300.56 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylheptyl-dimethoxy-propylsilane is sourced from PubChem (CID 22555855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).