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

C9H16N4O2 — CID 107063582

IUPAC5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCOCCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H16N4O2/c1-3-15-6-4-5-8(14)7-9-10-12-13(2)11-9/h3-7H2,1-2H3
InChIKeyPGDPDBHMVSNDCH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.14
Rot. Bonds7

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

5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one (PubChem CID 107063582) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
PubChem CID107063582
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
SMILESCCOCCCC(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H16N4O2/c1-3-15-6-4-5-8(14)7-9-10-12-13(2)11-9/h3-7H2,1-2H3
InChIKeyPGDPDBHMVSNDCH-UHFFFAOYSA-N
XLogP0.14
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107046923
5-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047096
2-(2-Methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanone
CID 107047127
2-(2-Methyltetrazol-5-yl)-1-(oxan-4-yl)ethanone
CID 107047130
4-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047451
3-Methoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047478
3-Ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047481
3-Ethoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107047485
4-(2-Methoxyethoxy)-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047567
4-Ethoxy-1-(2-methyltetrazol-5-yl)butan-2-one
CID 107047685
Ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate
CID 107054460
5-Methoxy-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107063292

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
The IUPAC name of 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one (CID 107063582) is 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one.
What is the SMILES notation for 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
The canonical SMILES for 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one is CCOCCCC(=O)Cc1nnn(C)n1.
What is the InChIKey of 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
The InChIKey is PGDPDBHMVSNDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-15-6-4-5-8(14)7-9-10-12-13(2)11-9/h3-7H2,1-2H3.
What are the key properties of 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one?
5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(2-methyltetrazol-5-yl)pentan-2-one is sourced from PubChem (CID 107063582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).