3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

C11H20N4O2 — CID 107047511

IUPAC3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCOC(CC)(CC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H20N4O2/c1-5-11(6-2,17-7-3)9(16)8-10-12-14-15(4)13-10/h5-8H2,1-4H3
InChIKeyXCXVLDLUOVNJAI-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.92
Rot. Bonds7

About 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one

3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107047511) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107047511
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCOC(CC)(CC)C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H20N4O2/c1-5-11(6-2,17-7-3)9(16)8-10-12-14-15(4)13-10/h5-8H2,1-4H3
InChIKeyXCXVLDLUOVNJAI-UHFFFAOYSA-N
XLogP0.92
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107047511) is 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is CCOC(CC)(CC)C(=O)Cc1nnn(C)n1.
What is the InChIKey of 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is XCXVLDLUOVNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-11(6-2,17-7-3)9(16)8-10-12-14-15(4)13-10/h5-8H2,1-4H3.
What are the key properties of 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one?
3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 240.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107047511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).