1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one

C13H22N4O2 — CID 107047542

IUPAC1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCCOC(C(=O)Cc1nnn(C)n1)C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-3-19-13(10-7-5-4-6-8-10)11(18)9-12-14-16-17(2)15-12/h10,13H,3-9H2,1-2H3
InChIKeyQDZZGAPQPCCTHW-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.31
Rot. Bonds6

About 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one

1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one (PubChem CID 107047542) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
PubChem CID107047542
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one
SMILESCCOC(C(=O)Cc1nnn(C)n1)C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-3-19-13(10-7-5-4-6-8-10)11(18)9-12-14-16-17(2)15-12/h10,13H,3-9H2,1-2H3
InChIKeyQDZZGAPQPCCTHW-UHFFFAOYSA-N
XLogP1.31
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one (CID 107047542) is 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one is CCOC(C(=O)Cc1nnn(C)n1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
The InChIKey is QDZZGAPQPCCTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-19-13(10-7-5-4-6-8-10)11(18)9-12-14-16-17(2)15-12/h10,13H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one?
1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-(2-methyltetrazol-5-yl)propan-2-one is sourced from PubChem (CID 107047542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).