ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene

C24H28N+ — CID 145473337

IUPACethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene
SMILESCC.Cc1cc(C)c2c(c1)-c1c3ccccc3cc[n+]1C1(C)CC21C
InChIInChI=1S/C22H22N.C2H6/c1-14-11-15(2)19-18(12-14)20-17-8-6-5-7-16(17)9-10-23(20)22(4)13-21(19,22)3;1-2/h5-12H,13H2,1-4H3;1-2H3/q+1;
InChIKeyJZOROLGRPSTDQD-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.83
Rot. Bonds

About ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene

ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene (PubChem CID 145473337) has the molecular formula C24H28N+ and a molecular weight of 330.50 g/mol. Its IUPAC name is ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene.

Molecular Properties

Compound Nameethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene
PubChem CID145473337
Molecular FormulaC24H28N+
Molecular Weight330.50 g/mol
Exact Mass330.22
IUPAC Nameethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene
SMILESCC.Cc1cc(C)c2c(c1)-c1c3ccccc3cc[n+]1C1(C)CC21C
InChIInChI=1S/C22H22N.C2H6/c1-14-11-15(2)19-18(12-14)20-17-8-6-5-7-16(17)9-10-23(20)22(4)13-21(19,22)3;1-2/h5-12H,13H2,1-4H3;1-2H3/q+1;
InChIKeyJZOROLGRPSTDQD-UHFFFAOYSA-N
XLogP5.83
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene with MolForge

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Related Compounds

2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
CID 145473347
1,3-dimethylnaphthalene;ethane
CID 145447624
trimethyl-(2'-methylspiro[isoindolo[1,2-a]isoquinolin-7-ium-8,6'-pyrido[2,1-a]isoindol-5-ium]-3'-yl)silane
CID 140710790
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
8,8-diethylisoquinolino[1,2-a][2]benzazepin-7-ium
CID 123918069
5,5,6-triethyl-6-methylisoquinolino[1,2-a]isoquinolin-7-ium
CID 123569955
6-ethenyl-5,6-diethyl-3-fluoro-2,5-dimethylisoquinolino[1,2-a]isoquinolin-7-ium
CID 123519733
CID 123594591
CID 123594591
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
methyl-naphthalen-1-yl-(2,4,6-trimethylphenyl)borane
CID 20689823
2-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)isoquinolin-2-ium
CID 123457115
(E)-N-naphthalen-1-yl-2-(2,4,6-trimethylphenyl)ethenesulfonamide
CID 90481118

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The IUPAC name of ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene (CID 145473337) is ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene.
What is the SMILES notation for ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The canonical SMILES for ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene is CC.Cc1cc(C)c2c(c1)-c1c3ccccc3cc[n+]1C1(C)CC21C.
What is the InChIKey of ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The InChIKey is JZOROLGRPSTDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N.C2H6/c1-14-11-15(2)19-18(12-14)20-17-8-6-5-7-16(17)9-10-23(20)22(4)13-21(19,22)3;1-2/h5-12H,13H2,1-4H3;1-2H3/q+1;.
What are the key properties of ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene has a molecular weight of 330.50 g/mol, XLogP of 5.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,6,8-tetramethyl-1-azoniapentacyclo[9.8.0.02,4.05,10.012,17]nonadeca-1(11),5,7,9,12,14,16,18-octaene is sourced from PubChem (CID 145473337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).