1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane

C15H30O2Si — CID 154120540

IUPAC1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane
SMILESCO[Si](C)(OC(C)C1CCC1)C1CCCCCC1
InChIInChI=1S/C15H30O2Si/c1-13(14-9-8-10-14)17-18(3,16-2)15-11-6-4-5-7-12-15/h13-15H,4-12H2,1-3H3
InChIKeyBQIPUPSLBLAZGJ-UHFFFAOYSA-N
MW270.49 g/mol
LogP4.63
Rot. Bonds5

About 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane

1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane (PubChem CID 154120540) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane.

Molecular Properties

Compound Name1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane
PubChem CID154120540
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Name1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane
SMILESCO[Si](C)(OC(C)C1CCC1)C1CCCCCC1
InChIInChI=1S/C15H30O2Si/c1-13(14-9-8-10-14)17-18(3,16-2)15-11-6-4-5-7-12-15/h13-15H,4-12H2,1-3H3
InChIKeyBQIPUPSLBLAZGJ-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.63
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 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
The IUPAC name of 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane (CID 154120540) is 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane.
What is the SMILES notation for 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
The canonical SMILES for 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane is CO[Si](C)(OC(C)C1CCC1)C1CCCCCC1.
What is the InChIKey of 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
The InChIKey is BQIPUPSLBLAZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-13(14-9-8-10-14)17-18(3,16-2)15-11-6-4-5-7-12-15/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane?
1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane has a molecular weight of 270.49 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethoxy-cycloheptyl-methoxy-methylsilane is sourced from PubChem (CID 154120540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).