4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

C9H18N4O2 — CID 107046551

IUPAC4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O2/c1-9(2,15-4)6-7(14)5-8-10-12-13(3)11-8/h7,14H,5-6H2,1-4H3
InChIKeyOQXZGDBGEWTYNM-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.07
Rot. Bonds5

About 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol

4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (PubChem CID 107046551) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
PubChem CID107046551
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
SMILESCOC(C)(C)CC(O)Cc1nnn(C)n1
InChIInChI=1S/C9H18N4O2/c1-9(2,15-4)6-7(14)5-8-10-12-13(3)11-8/h7,14H,5-6H2,1-4H3
InChIKeyOQXZGDBGEWTYNM-UHFFFAOYSA-N
XLogP-0.07
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107065829
3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107048155
1-(2-methyltetrazol-5-yl)octan-2-ol
CID 107046019
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
1-butan-2-ylsulfanyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047831
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
1-(2-methyltetrazol-5-yl)-4-phenylpentan-2-ol
CID 107046002

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The IUPAC name of 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol (CID 107046551) is 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol.
What is the SMILES notation for 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The canonical SMILES for 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is COC(C)(C)CC(O)Cc1nnn(C)n1.
What is the InChIKey of 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
The InChIKey is OQXZGDBGEWTYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-9(2,15-4)6-7(14)5-8-10-12-13(3)11-8/h7,14H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol?
4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol has a molecular weight of 214.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol is sourced from PubChem (CID 107046551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).