5-(2-methylhexan-2-yl)-2H-tetrazole

C8H16N4 — CID 166949125

IUPAC5-(2-methylhexan-2-yl)-2H-tetrazole
SMILESCCCCC(C)(C)c1nn[nH]n1
InChIInChI=1S/C8H16N4/c1-4-5-6-8(2,3)7-9-11-12-10-7/h4-6H2,1-3H3,(H,9,10,11,12)
InChIKeyVOFXGIYHXZIPBI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.67
Rot. Bonds4

About 5-(2-methylhexan-2-yl)-2H-tetrazole

5-(2-methylhexan-2-yl)-2H-tetrazole (PubChem CID 166949125) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-methylhexan-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-methylhexan-2-yl)-2H-tetrazole
PubChem CID166949125
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name5-(2-methylhexan-2-yl)-2H-tetrazole
SMILESCCCCC(C)(C)c1nn[nH]n1
InChIInChI=1S/C8H16N4/c1-4-5-6-8(2,3)7-9-11-12-10-7/h4-6H2,1-3H3,(H,9,10,11,12)
InChIKeyVOFXGIYHXZIPBI-UHFFFAOYSA-N
XLogP1.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-methyl-6-[5-methyl-5-(2H-tetrazol-5-yl)hexyl]sulfinylhexan-2-yl]-2H-tetrazole
CID 18752805
butyl 2-butyl-2-(2H-tetrazol-5-yl)hexanoate
CID 174581074
2,2-bis(2H-tetrazol-5-yl)tridecan-7-one
CID 91173697
CID 174581073
CID 174581073
4-methyl-4-(2H-tetrazol-5-yl)pentan-2-one
CID 143632830
5-(2-ethoxypropan-2-yl)-2H-tetrazole
CID 116701279
5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
CID 54416981
2,2,4-trimethyl-4-(2H-tetrazol-5-yl)pentanoyl iodide
CID 148785658
disodium;2-ethoxy-4-ethyl-5-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenol;hydride
CID 173315832
2-methyl-2-(2H-tetrazol-5-yl)pentan-3-one
CID 89112241
O-[2-(2H-tetrazol-5-yl)propan-2-yl]hydroxylamine
CID 154283782
N-[(1-ethylimidazol-2-yl)methyl]-N,3-dimethyl-3-(2H-tetrazol-5-yl)butan-1-amine
CID 155962206

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylhexan-2-yl)-2H-tetrazole?
The IUPAC name of 5-(2-methylhexan-2-yl)-2H-tetrazole (CID 166949125) is 5-(2-methylhexan-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(2-methylhexan-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(2-methylhexan-2-yl)-2H-tetrazole is CCCCC(C)(C)c1nn[nH]n1.
What is the InChIKey of 5-(2-methylhexan-2-yl)-2H-tetrazole?
The InChIKey is VOFXGIYHXZIPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-4-5-6-8(2,3)7-9-11-12-10-7/h4-6H2,1-3H3,(H,9,10,11,12).
What are the key properties of 5-(2-methylhexan-2-yl)-2H-tetrazole?
5-(2-methylhexan-2-yl)-2H-tetrazole has a molecular weight of 168.24 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylhexan-2-yl)-2H-tetrazole is sourced from PubChem (CID 166949125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).