3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

C11H22N4O2 — CID 107048155

IUPAC3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCOC(C(O)Cc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C11H22N4O2/c1-6-17-10(11(2,3)4)8(16)7-9-12-14-15(5)13-9/h8,10,16H,6-7H2,1-5H3
InChIKeyZKOLQLFVRCGAAT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds5

About 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107048155) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107048155
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCCOC(C(O)Cc1nnn(C)n1)C(C)(C)C
InChIInChI=1S/C11H22N4O2/c1-6-17-10(11(2,3)4)8(16)7-9-12-14-15(5)13-9/h8,10,16H,6-7H2,1-5H3
InChIKeyZKOLQLFVRCGAAT-UHFFFAOYSA-N
XLogP0.56
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107048155) is 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is CCOC(C(O)Cc1nnn(C)n1)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is ZKOLQLFVRCGAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-6-17-10(11(2,3)4)8(16)7-9-12-14-15(5)13-9/h8,10,16H,6-7H2,1-5H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107048155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).