2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one

C10H18N4O — CID 107054806

IUPAC2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one
SMILESCn1nnc(CCCC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)8(15)6-5-7-9-11-13-14(4)12-9/h5-7H2,1-4H3
InChIKeyLRDUVWKPOAQWDN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.15
Rot. Bonds4

About 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one

2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one (PubChem CID 107054806) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one
PubChem CID107054806
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one
SMILESCn1nnc(CCCC(=O)C(C)(C)C)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)8(15)6-5-7-9-11-13-14(4)12-9/h5-7H2,1-4H3
InChIKeyLRDUVWKPOAQWDN-UHFFFAOYSA-N
XLogP1.15
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-Dimethyl-1-(2-methyltetrazol-5-yl)butan-2-one
CID 11816240
3,3-Dimethyl-4-(2-methyltetrazol-5-yl)butan-2-one
CID 69535159
2,4,4,6-tetramethyl-6-(2H-tetrazol-5-yl)heptan-3-one
CID 145361444
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044503
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-3-one
CID 107044506
1-Cyclopropyl-3-(2-methyltetrazol-5-yl)propan-1-one
CID 107044538
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-3-one
CID 107044542
4-Methyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107046864
5-Methyl-1-(2-methyltetrazol-5-yl)hexan-2-one
CID 107046933
4,4-Dimethyl-1-(2-methyltetrazol-5-yl)pentan-2-one
CID 107047057
1-Cyclobutyl-2-(2-methyltetrazol-5-yl)ethanone
CID 107047092
1-(4,4-Dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047146

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one?
The IUPAC name of 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one (CID 107054806) is 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one.
What is the SMILES notation for 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one?
The canonical SMILES for 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one is Cn1nnc(CCCC(=O)C(C)(C)C)n1.
What is the InChIKey of 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one?
The InChIKey is LRDUVWKPOAQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)8(15)6-5-7-9-11-13-14(4)12-9/h5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one?
2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-methyltetrazol-5-yl)hexan-3-one is sourced from PubChem (CID 107054806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).