1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C12H20N4O — CID 107047146

IUPAC1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2)6-4-9(5-7-12)10(17)8-11-13-15-16(3)14-11/h9H,4-8H2,1-3H3
InChIKeyWNFUMMLJYBKCDW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.54
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047146) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047146
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(C)(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-12(2)6-4-9(5-7-12)10(17)8-11-13-15-16(3)14-11/h9H,4-8H2,1-3H3
InChIKeyWNFUMMLJYBKCDW-UHFFFAOYSA-N
XLogP1.54
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,5-Dimethyl-2-[2-(2-methyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598418
5,5-Dimethyl-2-[2-(2-ethyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 156598444
2-[2-(2-t-Butyl-2h-tetrazol-5-yl)acetyl]-5,5-dimethylcyclohexane-1,3-dione
CID 156598493
2-[2-(2-Ethyl-2h-tetrazol-5-yl)acetyl]cyclohexane-1,3-dione
CID 163183551
2-(2-Methyltetrazol-5-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 107063267
2-(2-Methyltetrazol-5-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 107063318
1-(4,4-Difluorocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063622
2-(2-Methyltetrazol-5-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 113912001
2-[(5-Methyltetrazol-2-yl)methyl]cyclohexan-1-one
CID 59088662
1-[4-(2H-tetrazol-5-yl)cyclohexyl]propan-1-one
CID 118218378
1-[4-(2H-tetrazol-5-yl)cyclohexyl]ethanone
CID 118221219
2,5,5,7,7-pentamethyl-8-(2H-tetrazol-5-yl)octan-3-one
CID 145132749

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047146) is 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCC(C)(C)CC2)n1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is WNFUMMLJYBKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2)6-4-9(5-7-12)10(17)8-11-13-15-16(3)14-11/h9H,4-8H2,1-3H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 236.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).