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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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).