6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene

C34H38NO+ — CID 164723527

About 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene

6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene (PubChem CID 164723527) has the molecular formula C34H38NO+ and a molecular weight of 476.68 g/mol. Its IUPAC name is 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene.

Molecular Properties

• Compound Name: 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene
• PubChem CID: 164723527
• Molecular Formula: C34H38NO+
• Molecular Weight: 476.68 g/mol
• Exact Mass: 476.29
• IUPAC Name: 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene
• SMILES: CCC1(CC)CCC(c2cc3c4c([n+](C)ccc4c2)-c2c(c4c5c(cccc5c2C)CCC4)O3)CC1
• InChI: InChI=1S/C34H38NO/c1-5-34(6-2)16-13-22(14-17-34)25-19-24-15-18-35(4)32-29-21(3)26-11-7-9-23-10-8-12-27(30(23)26)33(29)36-28(20-25)31(24)32/h7,9,11,15,18-20,22H,5-6,8,10,12-14,16-17H2,1-4H3/q+1
• InChIKey: MJPNPAABARJXPP-UHFFFAOYSA-N
• XLogP: 8.85
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.68
LogP ≤ 5	8.85
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 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene?

The IUPAC name of 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene (CID 164723527) is 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene.

What is the SMILES notation for 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene?

The canonical SMILES for 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene is CCC1(CC)CCC(c2cc3c4c([n+](C)ccc4c2)-c2c(c4c5c(cccc5c2C)CCC4)O3)CC1.

What is the InChIKey of 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene?

The InChIKey is MJPNPAABARJXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38NO/c1-5-34(6-2)16-13-22(14-17-34)25-19-24-15-18-35(4)32-29-21(3)26-11-7-9-23-10-8-12-27(30(23)26)33(29)36-28(20-25)31(24)32/h7,9,11,15,18-20,22H,5-6,8,10,12-14,16-17H2,1-4H3/q+1.

What are the key properties of 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene?

6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene has a molecular weight of 476.68 g/mol, XLogP of 8.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,4-diethylcyclohexyl)-11,14-dimethyl-3-oxa-11-azoniahexacyclo[13.7.1.14,8.02,13.019,23.012,24]tetracosa-1,4(24),5,7,9,11,13,15,17,19(23)-decaene is sourced from PubChem (CID 164723527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).