ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate

C9H14N4O5 — CID 157048920

IUPACethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate
SMILESCCOC(=O)OCn1nnc(COCC(C)=O)n1
InChIInChI=1S/C9H14N4O5/c1-3-17-9(15)18-6-13-11-8(10-12-13)5-16-4-7(2)14/h3-6H2,1-2H3
InChIKeyJPCUKXLFECJAJE-UHFFFAOYSA-N
MW258.23 g/mol
LogP-0.09
Rot. Bonds7

About ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate

ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate (PubChem CID 157048920) has the molecular formula C9H14N4O5 and a molecular weight of 258.23 g/mol. Its IUPAC name is ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate.

Molecular Properties

Compound Nameethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate
PubChem CID157048920
Molecular FormulaC9H14N4O5
Molecular Weight258.23 g/mol
Exact Mass258.10
IUPAC Nameethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate
SMILESCCOC(=O)OCn1nnc(COCC(C)=O)n1
InChIInChI=1S/C9H14N4O5/c1-3-17-9(15)18-6-13-11-8(10-12-13)5-16-4-7(2)14/h3-6H2,1-2H3
InChIKeyJPCUKXLFECJAJE-UHFFFAOYSA-N
XLogP-0.09
TPSA105.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl [(1R)-1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] carbonate;methane
CID 157048914
ethyl [(1R)-1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] carbonate
CID 157048915
Ethene;ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate
CID 157048952
1-[(2-Methyltetrazol-5-yl)methoxy]propan-2-one
CID 157048987
Ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate
CID 157049046
CID 165155960
CID 165155960
ethyl [(1S)-1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] carbonate
CID 165155964
[(3R)-3-[5-(2-oxopropoxymethyl)tetrazol-2-yl]butyl] hydrogen carbonate
CID 172762774
Bis[1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] carbonate
CID 175425458
1-[5-(2-Oxopropoxymethyl)tetrazol-2-yl]ethyl hydrogen carbonate
CID 175425459
bis[(1R)-1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] carbonate
CID 175425466
bis[(1S)-1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] carbonate
CID 175425471

Frequently Asked Questions

What is the IUPAC name of ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate?
The IUPAC name of ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate (CID 157048920) is ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate.
What is the SMILES notation for ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate?
The canonical SMILES for ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate is CCOC(=O)OCn1nnc(COCC(C)=O)n1.
What is the InChIKey of ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate?
The InChIKey is JPCUKXLFECJAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O5/c1-3-17-9(15)18-6-13-11-8(10-12-13)5-16-4-7(2)14/h3-6H2,1-2H3.
What are the key properties of ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate?
ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate has a molecular weight of 258.23 g/mol, XLogP of -0.09, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate is sourced from PubChem (CID 157048920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).