5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole

C19H36N8O2 — CID 22737232

IUPAC5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
SMILESCC(C)(CCCOCCCOCCCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C19H36N8O2/c1-18(2,14-16-20-24-25-21-16)8-5-10-28-12-7-13-29-11-6-9-19(3,4)15-17-22-26-27-23-17/h5-15H2,1-4H3,(H,20,21,24,25)(H,22,23,26,27)
InChIKeyKAHMRLDFGCLXBT-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.53
Rot. Bonds16

About 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole

5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole (PubChem CID 22737232) has the molecular formula C19H36N8O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
PubChem CID22737232
Molecular FormulaC19H36N8O2
Molecular Weight408.55 g/mol
Exact Mass408.30
IUPAC Name5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole
SMILESCC(C)(CCCOCCCOCCCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C19H36N8O2/c1-18(2,14-16-20-24-25-21-16)8-5-10-28-12-7-13-29-11-6-9-19(3,4)15-17-22-26-27-23-17/h5-15H2,1-4H3,(H,20,21,24,25)(H,22,23,26,27)
InChIKeyKAHMRLDFGCLXBT-UHFFFAOYSA-N
XLogP2.53
TPSA127.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole with MolForge

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Related Compounds

5-[1-[2-[3,3-dimethyl-4-(2H-tetrazol-5-yl)butoxy]ethoxy]-3,3-dimethylbutyl]-2H-tetrazole
CID 22737258
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 113427164
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
5-(2,2-dimethylpropoxymethyl)-2H-tetrazole
CID 155579956
5-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2H-tetrazole
CID 104564181
4-[6-[3-[5,5-dimethyl-6-(3-oxo-1,2-oxazol-4-yl)hexoxy]propoxy]-2,2-dimethylhexyl]-1,2-oxazol-3-one
CID 22737303
5-pentyl-2H-tetrazole
CID 139080284
5-(methoxymethyl)-2H-tetrazole;molecular hydrogen
CID 143723114
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
4,4-dimethyl-5-(2H-tetrazol-5-ylmethylamino)pentanenitrile
CID 115698081
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole?
The IUPAC name of 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole (CID 22737232) is 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole.
What is the SMILES notation for 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole?
The canonical SMILES for 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole is CC(C)(CCCOCCCOCCCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1.
What is the InChIKey of 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole?
The InChIKey is KAHMRLDFGCLXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N8O2/c1-18(2,14-16-20-24-25-21-16)8-5-10-28-12-7-13-29-11-6-9-19(3,4)15-17-22-26-27-23-17/h5-15H2,1-4H3,(H,20,21,24,25)(H,22,23,26,27).
What are the key properties of 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole?
5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole has a molecular weight of 408.55 g/mol, XLogP of 2.53, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-[4,4-dimethyl-5-(2H-tetrazol-5-yl)pentoxy]propoxy]-2,2-dimethylpentyl]-2H-tetrazole is sourced from PubChem (CID 22737232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).