3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

C30H34NO+ — CID 164723283

About 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene

3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (PubChem CID 164723283) has the molecular formula C30H34NO+ and a molecular weight of 424.61 g/mol. Its IUPAC name is 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.

Molecular Properties

• Compound Name: 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
• PubChem CID: 164723283
• Molecular Formula: C30H34NO+
• Molecular Weight: 424.61 g/mol
• Exact Mass: 424.26
• IUPAC Name: 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene
• SMILES: Cc1c2c(c(C)c3cc(CC(C)C)ccc13)-c1c3c(cc(CC(C)C)cc3cc[n+]1C)O2
• InChI: InChI=1S/C30H34NO/c1-17(2)12-21-8-9-24-20(6)30-27(19(5)25(24)15-21)29-28-23(10-11-31(29)7)14-22(13-18(3)4)16-26(28)32-30/h8-11,14-18H,12-13H2,1-7H3/q+1
• InChIKey: GYESUSZDVGELRX-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.61
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?

The IUPAC name of 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene (CID 164723283) is 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene.

What is the SMILES notation for 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?

The canonical SMILES for 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is Cc1c2c(c(C)c3cc(CC(C)C)ccc13)-c1c3c(cc(CC(C)C)cc3cc[n+]1C)O2.

What is the InChIKey of 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?

The InChIKey is GYESUSZDVGELRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34NO/c1-17(2)12-21-8-9-24-20(6)30-27(19(5)25(24)15-21)29-28-23(10-11-31(29)7)14-22(13-18(3)4)16-26(28)32-30/h8-11,14-18H,12-13H2,1-7H3/q+1.

What are the key properties of 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene?

3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene has a molecular weight of 424.61 g/mol, XLogP of 7.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10,20-trimethyl-6,15-bis(2-methylpropyl)-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaene is sourced from PubChem (CID 164723283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).