5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole

C24H40N4 — CID 177188975

IUPAC5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole
SMILESCC(C)(C)CC(c1ccccc1)C(C)(C)C(C)(C)C(c1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C24H40N4/c1-21(2,3)16-18(17-14-12-11-13-15-17)23(7,8)24(9,10)19(22(4,5)6)20-25-27-28-26-20/h11-15,18-19H,16H2,1-10H3,(H,25,26,27,28)
InChIKeyTZLFXGDLRJUUKX-UHFFFAOYSA-N
MW384.61 g/mol
LogP6.60
Rot. Bonds6

About 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole

5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole (PubChem CID 177188975) has the molecular formula C24H40N4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole
PubChem CID177188975
Molecular FormulaC24H40N4
Molecular Weight384.61 g/mol
Exact Mass384.33
IUPAC Name5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole
SMILESCC(C)(C)CC(c1ccccc1)C(C)(C)C(C)(C)C(c1nn[nH]n1)C(C)(C)C
InChIInChI=1S/C24H40N4/c1-21(2,3)16-18(17-14-12-11-13-15-17)23(7,8)24(9,10)19(22(4,5)6)20-25-27-28-26-20/h11-15,18-19H,16H2,1-10H3,(H,25,26,27,28)
InChIKeyTZLFXGDLRJUUKX-UHFFFAOYSA-N
XLogP6.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole?
The IUPAC name of 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole (CID 177188975) is 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole.
What is the SMILES notation for 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole?
The canonical SMILES for 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole is CC(C)(C)CC(c1ccccc1)C(C)(C)C(C)(C)C(c1nn[nH]n1)C(C)(C)C.
What is the InChIKey of 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole?
The InChIKey is TZLFXGDLRJUUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4/c1-21(2,3)16-18(17-14-12-11-13-15-17)23(7,8)24(9,10)19(22(4,5)6)20-25-27-28-26-20/h11-15,18-19H,16H2,1-10H3,(H,25,26,27,28).
What are the key properties of 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole?
5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole has a molecular weight of 384.61 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,4,4,5,5,8,8-octamethyl-6-phenylnonan-3-yl)-2H-tetrazole is sourced from PubChem (CID 177188975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).