3-ethoxy-3-methoxyazepan-2-one;silane

C9H21NO3Si — CID 161106246

IUPAC3-ethoxy-3-methoxyazepan-2-one;silane
SMILESCCOC1(OC)CCCCNC1=O.[SiH4]
InChIInChI=1S/C9H17NO3.H4Si/c1-3-13-9(12-2)6-4-5-7-10-8(9)11;/h3-7H2,1-2H3,(H,10,11);1H4
InChIKeyUJBYUSMAPPXTHE-UHFFFAOYSA-N
MW219.36 g/mol
LogP-0.79
Rot. Bonds3

About 3-ethoxy-3-methoxyazepan-2-one;silane

3-ethoxy-3-methoxyazepan-2-one;silane (PubChem CID 161106246) has the molecular formula C9H21NO3Si and a molecular weight of 219.36 g/mol. Its IUPAC name is 3-ethoxy-3-methoxyazepan-2-one;silane.

Molecular Properties

Compound Name3-ethoxy-3-methoxyazepan-2-one;silane
PubChem CID161106246
Molecular FormulaC9H21NO3Si
Molecular Weight219.36 g/mol
Exact Mass219.13
IUPAC Name3-ethoxy-3-methoxyazepan-2-one;silane
SMILESCCOC1(OC)CCCCNC1=O.[SiH4]
InChIInChI=1S/C9H17NO3.H4Si/c1-3-13-9(12-2)6-4-5-7-10-8(9)11;/h3-7H2,1-2H3,(H,10,11);1H4
InChIKeyUJBYUSMAPPXTHE-UHFFFAOYSA-N
XLogP-0.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-methoxyazepan-2-one;silane?
The IUPAC name of 3-ethoxy-3-methoxyazepan-2-one;silane (CID 161106246) is 3-ethoxy-3-methoxyazepan-2-one;silane.
What is the SMILES notation for 3-ethoxy-3-methoxyazepan-2-one;silane?
The canonical SMILES for 3-ethoxy-3-methoxyazepan-2-one;silane is CCOC1(OC)CCCCNC1=O.[SiH4].
What is the InChIKey of 3-ethoxy-3-methoxyazepan-2-one;silane?
The InChIKey is UJBYUSMAPPXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.H4Si/c1-3-13-9(12-2)6-4-5-7-10-8(9)11;/h3-7H2,1-2H3,(H,10,11);1H4.
What are the key properties of 3-ethoxy-3-methoxyazepan-2-one;silane?
3-ethoxy-3-methoxyazepan-2-one;silane has a molecular weight of 219.36 g/mol, XLogP of -0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-methoxyazepan-2-one;silane is sourced from PubChem (CID 161106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).