1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C11H18N4O2 — CID 107047519

IUPAC1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2nnn(C)n2)CCCCC1
InChIInChI=1S/C11H18N4O2/c1-15-13-10(12-14-15)8-9(16)11(17-2)6-4-3-5-7-11/h3-8H2,1-2H3
InChIKeyUXEQIIYIGRXKOB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds4

About 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107047519) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107047519
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCOC1(C(=O)Cc2nnn(C)n2)CCCCC1
InChIInChI=1S/C11H18N4O2/c1-15-13-10(12-14-15)8-9(16)11(17-2)6-4-3-5-7-11/h3-8H2,1-2H3
InChIKeyUXEQIIYIGRXKOB-UHFFFAOYSA-N
XLogP0.67
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107047519) is 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is COC1(C(=O)Cc2nnn(C)n2)CCCCC1.
What is the InChIKey of 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is UXEQIIYIGRXKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-13-10(12-14-15)8-9(16)11(17-2)6-4-3-5-7-11/h3-8H2,1-2H3.
What are the key properties of 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 238.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107047519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).