2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione

C19H32N8O2 — CID 20631076

IUPAC2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione
SMILESCC(C)(CCC(=O)CCCC(=O)CCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C19H32N8O2/c1-18(2,12-16-20-24-25-21-16)10-8-14(28)6-5-7-15(29)9-11-19(3,4)13-17-22-26-27-23-17/h5-13H2,1-4H3,(H,20,21,24,25)(H,22,23,26,27)
InChIKeyAXICBDOTFCNMFG-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.42
Rot. Bonds14

About 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione

2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione (PubChem CID 20631076) has the molecular formula C19H32N8O2 and a molecular weight of 404.52 g/mol. Its IUPAC name is 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione.

Molecular Properties

Compound Name2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione
PubChem CID20631076
Molecular FormulaC19H32N8O2
Molecular Weight404.52 g/mol
Exact Mass404.26
IUPAC Name2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione
SMILESCC(C)(CCC(=O)CCCC(=O)CCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1
InChIInChI=1S/C19H32N8O2/c1-18(2,12-16-20-24-25-21-16)10-8-14(28)6-5-7-15(29)9-11-19(3,4)13-17-22-26-27-23-17/h5-13H2,1-4H3,(H,20,21,24,25)(H,22,23,26,27)
InChIKeyAXICBDOTFCNMFG-UHFFFAOYSA-N
XLogP2.42
TPSA143.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione?
The IUPAC name of 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione (CID 20631076) is 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione.
What is the SMILES notation for 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione?
The canonical SMILES for 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione is CC(C)(CCC(=O)CCCC(=O)CCC(C)(C)Cc1nn[nH]n1)Cc1nn[nH]n1.
What is the InChIKey of 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione?
The InChIKey is AXICBDOTFCNMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N8O2/c1-18(2,12-16-20-24-25-21-16)10-8-14(28)6-5-7-15(29)9-11-19(3,4)13-17-22-26-27-23-17/h5-13H2,1-4H3,(H,20,21,24,25)(H,22,23,26,27).
What are the key properties of 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione?
2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione has a molecular weight of 404.52 g/mol, XLogP of 2.42, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,12,12-tetramethyl-1,13-bis(2H-tetrazol-5-yl)tridecane-5,9-dione is sourced from PubChem (CID 20631076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).