ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate

C10H16N4O3 — CID 107054460

IUPACethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate
SMILESCCOC(=O)CCC(=O)CCc1nnn(C)n1
InChIInChI=1S/C10H16N4O3/c1-3-17-10(16)7-5-8(15)4-6-9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeySKSKKQOTJXNFGC-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.06
Rot. Bonds7

About ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate

ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate (PubChem CID 107054460) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate.

Molecular Properties

Compound Nameethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate
PubChem CID107054460
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate
SMILESCCOC(=O)CCC(=O)CCc1nnn(C)n1
InChIInChI=1S/C10H16N4O3/c1-3-17-10(16)7-5-8(15)4-6-9-11-13-14(2)12-9/h3-7H2,1-2H3
InChIKeySKSKKQOTJXNFGC-UHFFFAOYSA-N
XLogP0.06
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate?
The IUPAC name of ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate (CID 107054460) is ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate.
What is the SMILES notation for ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate?
The canonical SMILES for ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate is CCOC(=O)CCC(=O)CCc1nnn(C)n1.
What is the InChIKey of ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate?
The InChIKey is SKSKKQOTJXNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-17-10(16)7-5-8(15)4-6-9-11-13-14(2)12-9/h3-7H2,1-2H3.
What are the key properties of ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate?
ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate has a molecular weight of 240.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-methyltetrazol-5-yl)-4-oxohexanoate is sourced from PubChem (CID 107054460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).