1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine

C15H31NO3Si — CID 174841489

IUPAC1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine
SMILESCCOC(OCC)(N1CCC1)[Si]1(OCC)CCCCC1
InChIInChI=1S/C15H31NO3Si/c1-4-17-15(18-5-2,16-11-10-12-16)20(19-6-3)13-8-7-9-14-20/h4-14H2,1-3H3
InChIKeyVQXQCZYNQQEMMB-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.12
Rot. Bonds8

About 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine

1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine (PubChem CID 174841489) has the molecular formula C15H31NO3Si and a molecular weight of 301.50 g/mol. Its IUPAC name is 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine.

Molecular Properties

Compound Name1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine
PubChem CID174841489
Molecular FormulaC15H31NO3Si
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine
SMILESCCOC(OCC)(N1CCC1)[Si]1(OCC)CCCCC1
InChIInChI=1S/C15H31NO3Si/c1-4-17-15(18-5-2,16-11-10-12-16)20(19-6-3)13-8-7-9-14-20/h4-14H2,1-3H3
InChIKeyVQXQCZYNQQEMMB-UHFFFAOYSA-N
XLogP3.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine?
The IUPAC name of 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine (CID 174841489) is 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine.
What is the SMILES notation for 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine?
The canonical SMILES for 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine is CCOC(OCC)(N1CCC1)[Si]1(OCC)CCCCC1.
What is the InChIKey of 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine?
The InChIKey is VQXQCZYNQQEMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3Si/c1-4-17-15(18-5-2,16-11-10-12-16)20(19-6-3)13-8-7-9-14-20/h4-14H2,1-3H3.
What are the key properties of 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine?
1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine has a molecular weight of 301.50 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy-(1-ethoxysilinan-1-yl)methyl]azetidine is sourced from PubChem (CID 174841489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).