5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole

C11H22N4O3 — CID 113427164

IUPAC5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
SMILESCCCCOCCOCCOCCc1nn[nH]n1
InChIInChI=1S/C11H22N4O3/c1-2-3-5-16-7-9-18-10-8-17-6-4-11-12-14-15-13-11/h2-10H2,1H3,(H,12,13,14,15)
InChIKeyFEIDJKRVKWAOFF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.59
Rot. Bonds12

About 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole

5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole (PubChem CID 113427164) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
PubChem CID113427164
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
SMILESCCCCOCCOCCOCCc1nn[nH]n1
InChIInChI=1S/C11H22N4O3/c1-2-3-5-16-7-9-18-10-8-17-6-4-11-12-14-15-13-11/h2-10H2,1H3,(H,12,13,14,15)
InChIKeyFEIDJKRVKWAOFF-UHFFFAOYSA-N
XLogP0.59
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-[2-[2-[2-(2H-tetrazol-5-yl)ethoxy]ethoxy]ethyl]-2H-tetrazole
CID 13101701
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-pentyl-2H-tetrazole
CID 139080284
5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
CID 22737232
5-(5-ethylundecyl)-2H-tetrazole
CID 129015561
5-(3-ethyl-3-methylnonyl)-2H-tetrazole
CID 146182533
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
2-butoxyethanethioamide
CID 43267695
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-butoxybutane;triiodoalumane
CID 139244108

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole (CID 113427164) is 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole is CCCCOCCOCCOCCc1nn[nH]n1.
What is the InChIKey of 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
The InChIKey is FEIDJKRVKWAOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-2-3-5-16-7-9-18-10-8-17-6-4-11-12-14-15-13-11/h2-10H2,1H3,(H,12,13,14,15).
What are the key properties of 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole?
5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole has a molecular weight of 258.32 g/mol, XLogP of 0.59, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole is sourced from PubChem (CID 113427164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).