3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol

C8H16N4O2 — CID 107047970

IUPAC3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCOC(C)(C)C(O)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O2/c1-8(2,14-4)6(13)5-7-9-11-12(3)10-7/h6,13H,5H2,1-4H3
InChIKeyNCFVLMHBQFIPCN-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.46
Rot. Bonds4

About 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol

3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol (PubChem CID 107047970) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
PubChem CID107047970
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
SMILESCOC(C)(C)C(O)Cc1nnn(C)n1
InChIInChI=1S/C8H16N4O2/c1-8(2,14-4)6(13)5-7-9-11-12(3)10-7/h6,13H,5H2,1-4H3
InChIKeyNCFVLMHBQFIPCN-UHFFFAOYSA-N
XLogP-0.46
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-4-methyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107046551
3-ethoxy-4,4-dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-ol
CID 107048155
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
3-methyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-ol
CID 107057781
2-methyl-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107057756
1-(dimethylamino)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047966
1-(2-methylpropylsulfanyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047829
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046399
2-(2-methyltetrazol-5-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 107065711
1-(1-methoxycyclobutyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107065829
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107046110
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol (CID 107047970) is 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol is COC(C)(C)C(O)Cc1nnn(C)n1.
What is the InChIKey of 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
The InChIKey is NCFVLMHBQFIPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-8(2,14-4)6(13)5-7-9-11-12(3)10-7/h6,13H,5H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol?
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol has a molecular weight of 200.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol is sourced from PubChem (CID 107047970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).