2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione

C21H36N8O2 — CID 23431344

IUPAC2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
SMILESCC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C21H36N8O2/c1-20(2,14-18-22-26-27-23-18)12-6-10-16(30)8-5-9-17(31)11-7-13-21(3,4)15-19-24-28-29-25-19/h5-15H2,1-4H3,(H,22,23,26,27)(H,24,25,28,29)
InChIKeyFGIAORGEQHLTEL-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.20
Rot. Bonds16

About 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione

2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione (PubChem CID 23431344) has the molecular formula C21H36N8O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione.

Molecular Properties

Compound Name2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
PubChem CID23431344
Molecular FormulaC21H36N8O2
Molecular Weight432.57 g/mol
Exact Mass432.30
IUPAC Name2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione
SMILESCC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C21H36N8O2/c1-20(2,14-18-22-26-27-23-18)12-6-10-16(30)8-5-9-17(31)11-7-13-21(3,4)15-19-24-28-29-25-19/h5-15H2,1-4H3,(H,22,23,26,27)(H,24,25,28,29)
InChIKeyFGIAORGEQHLTEL-UHFFFAOYSA-N
XLogP3.20
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione?
The IUPAC name of 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione (CID 23431344) is 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione.
What is the SMILES notation for 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione?
The canonical SMILES for 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione is CC(C)(CCCC(=O)CCCC(=O)CCCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1.
What is the InChIKey of 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione?
The InChIKey is FGIAORGEQHLTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N8O2/c1-20(2,14-18-22-26-27-23-18)12-6-10-16(30)8-5-9-17(31)11-7-13-21(3,4)15-19-24-28-29-25-19/h5-15H2,1-4H3,(H,22,23,26,27)(H,24,25,28,29).
What are the key properties of 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione?
2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione has a molecular weight of 432.57 g/mol, XLogP of 3.20, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,14,14-tetramethyl-1,15-bis(2H-tetrazol-5-yl)pentadecane-6,10-dione is sourced from PubChem (CID 23431344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).