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

C14H24N4O2 — CID 107047535

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCOC1(C(=O)Cc2nnn(C)n2)CCC(C)(C)CC1
InChIInChI=1S/C14H24N4O2/c1-5-20-14(8-6-13(2,3)7-9-14)11(19)10-12-15-17-18(4)16-12/h5-10H2,1-4H3
InChIKeyCQYJGLBYVJTJPW-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.70
Rot. Bonds5

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

1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047535) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047535
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCCOC1(C(=O)Cc2nnn(C)n2)CCC(C)(C)CC1
InChIInChI=1S/C14H24N4O2/c1-5-20-14(8-6-13(2,3)7-9-14)11(19)10-12-15-17-18(4)16-12/h5-10H2,1-4H3
InChIKeyCQYJGLBYVJTJPW-UHFFFAOYSA-N
XLogP1.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Methyloxan-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047353
1-(1-Ethoxycyclopentyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047516
1-(1-Methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047519
1-(1-Ethoxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047528
1-(1-Methoxy-3-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047531
1-(1-Methoxycycloheptyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047537
1-(1-Ethoxycycloheptyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047539
1-Cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
CID 107047542
1-(1-Hydroxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047605
1-(1-Hydroxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047615
1-(1-Ethoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 113909850
1-(1-Methoxy-4-methylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 113909851

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047535) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is CCOC1(C(=O)Cc2nnn(C)n2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is CQYJGLBYVJTJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-20-14(8-6-13(2,3)7-9-14)11(19)10-12-15-17-18(4)16-12/h5-10H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).