5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole

C16H30N8O2 — CID 22737258

IUPAC5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole
SMILESCC(C)(C)CC(OCCOCCC(C)(C)Cc1nn[nH]n1)c1nn[nH]n1
InChIInChI=1S/C16H30N8O2/c1-15(2,3)10-12(14-19-23-24-20-14)26-9-8-25-7-6-16(4,5)11-13-17-21-22-18-13/h12H,6-11H2,1-5H3,(H,17,18,21,22)(H,19,20,23,24)
InChIKeyRFLRVDKLNSJZDZ-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.88
Rot. Bonds11

About 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole

5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole (PubChem CID 22737258) has the molecular formula C16H30N8O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole
PubChem CID22737258
Molecular FormulaC16H30N8O2
Molecular Weight366.47 g/mol
Exact Mass366.25
IUPAC Name5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole
SMILESCC(C)(C)CC(OCCOCCC(C)(C)Cc1nn[nH]n1)c1nn[nH]n1
InChIInChI=1S/C16H30N8O2/c1-15(2,3)10-12(14-19-23-24-20-14)26-9-8-25-7-6-16(4,5)11-13-17-21-22-18-13/h12H,6-11H2,1-5H3,(H,17,18,21,22)(H,19,20,23,24)
InChIKeyRFLRVDKLNSJZDZ-UHFFFAOYSA-N
XLogP1.88
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
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5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
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5-(1-chloroethyl)-2H-tetrazole
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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole?
The IUPAC name of 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole (CID 22737258) is 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole.
What is the SMILES notation for 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole?
The canonical SMILES for 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole is CC(C)(C)CC(OCCOCCC(C)(C)Cc1nn[nH]n1)c1nn[nH]n1.
What is the InChIKey of 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole?
The InChIKey is RFLRVDKLNSJZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N8O2/c1-15(2,3)10-12(14-19-23-24-20-14)26-9-8-25-7-6-16(4,5)11-13-17-21-22-18-13/h12H,6-11H2,1-5H3,(H,17,18,21,22)(H,19,20,23,24).
What are the key properties of 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole?
5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole has a molecular weight of 366.47 g/mol, XLogP of 1.88, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole is sourced from PubChem (CID 22737258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).