ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate

C10H16N4O5 — CID 157049046

IUPACethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate
SMILESCCOC(=O)OC(C)n1nnc(COCC(C)=O)n1
InChIInChI=1S/C10H16N4O5/c1-4-18-10(16)19-8(3)14-12-9(11-13-14)6-17-5-7(2)15/h8H,4-6H2,1-3H3
InChIKeyZEHVIXSADSKYQZ-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.47
Rot. Bonds7

About ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate

ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate (PubChem CID 157049046) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate.

Molecular Properties

Compound Nameethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate
PubChem CID157049046
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Nameethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate
SMILESCCOC(=O)OC(C)n1nnc(COCC(C)=O)n1
InChIInChI=1S/C10H16N4O5/c1-4-18-10(16)19-8(3)14-12-9(11-13-14)6-17-5-7(2)15/h8H,4-6H2,1-3H3
InChIKeyZEHVIXSADSKYQZ-UHFFFAOYSA-N
XLogP0.47
TPSA105.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.47
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
Ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate
CID 157048920
Ethene;ethyl [5-(2-oxopropoxymethyl)tetrazol-2-yl]methyl carbonate
CID 157048952
1-[(2-Methyltetrazol-5-yl)methoxy]propan-2-one
CID 157048987
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
[(1R)-1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl] hydrogen carbonate
CID 175898312

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate?
The IUPAC name of ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate (CID 157049046) is ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate.
What is the SMILES notation for ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate?
The canonical SMILES for ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate is CCOC(=O)OC(C)n1nnc(COCC(C)=O)n1.
What is the InChIKey of ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate?
The InChIKey is ZEHVIXSADSKYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-4-18-10(16)19-8(3)14-12-9(11-13-14)6-17-5-7(2)15/h8H,4-6H2,1-3H3.
What are the key properties of ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate?
ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate has a molecular weight of 272.26 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(2-oxopropoxymethyl)tetrazol-2-yl]ethyl carbonate is sourced from PubChem (CID 157049046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).