2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione

C18H30N8O2 — CID 23431414

IUPAC2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione
SMILESCC(C)(CCC(=O)CCC(=O)CCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C18H30N8O2/c1-17(2,11-15-19-23-24-20-15)9-7-13(27)5-6-14(28)8-10-18(3,4)12-16-21-25-26-22-16/h5-12H2,1-4H3,(H,19,20,23,24)(H,21,22,25,26)
InChIKeyUTTHINZFTSUIRK-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.03
Rot. Bonds13

About 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione

2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione (PubChem CID 23431414) has the molecular formula C18H30N8O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione.

Molecular Properties

Compound Name2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione
PubChem CID23431414
Molecular FormulaC18H30N8O2
Molecular Weight390.49 g/mol
Exact Mass390.25
IUPAC Name2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione
SMILESCC(C)(CCC(=O)CCC(=O)CCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C18H30N8O2/c1-17(2,11-15-19-23-24-20-15)9-7-13(27)5-6-14(28)8-10-18(3,4)12-16-21-25-26-22-16/h5-12H2,1-4H3,(H,19,20,23,24)(H,21,22,25,26)
InChIKeyUTTHINZFTSUIRK-UHFFFAOYSA-N
XLogP2.03
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione?
The IUPAC name of 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione (CID 23431414) is 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione.
What is the SMILES notation for 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione?
The canonical SMILES for 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione is CC(C)(CCC(=O)CCC(=O)CCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1.
What is the InChIKey of 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione?
The InChIKey is UTTHINZFTSUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N8O2/c1-17(2,11-15-19-23-24-20-15)9-7-13(27)5-6-14(28)8-10-18(3,4)12-16-21-25-26-22-16/h5-12H2,1-4H3,(H,19,20,23,24)(H,21,22,25,26).
What are the key properties of 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione?
2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione has a molecular weight of 390.49 g/mol, XLogP of 2.03, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,11,11-tetramethyl-1,12-bis(2H-tetrazol-5-yl)dodecane-5,8-dione is sourced from PubChem (CID 23431414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).