[6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane

C38H46GeNO+ — CID 168733543

About [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane

[6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane (PubChem CID 168733543) has the molecular formula C38H46GeNO+ and a molecular weight of 605.40 g/mol. Its IUPAC name is [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane.

Molecular Properties

• Compound Name: [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane
• PubChem CID: 168733543
• Molecular Formula: C38H46GeNO+
• Molecular Weight: 605.40 g/mol
• Exact Mass: 606.28
• IUPAC Name: [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane
• SMILES: Cc1c2c(c(CC(C)(C)C)c3ccc(CC(C)(C)C)cc13)Oc1cc3cccc([Ge](C)(C)C)c3c3cc[n+](C)c-2c13
• InChI: InChI=1S/C38H46GeNO/c1-23-28-19-24(21-37(2,3)4)15-16-26(28)29(22-38(5,6)7)36-32(23)35-34-27(17-18-40(35)11)33-25(20-31(34)41-36)13-12-14-30(33)39(8,9)10/h12-20H,21-22H2,1-11H3/q+1
• InChIKey: YZHXLAATQIPRHJ-UHFFFAOYSA-N
• XLogP: 9.77
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.40
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane?

The IUPAC name of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane (CID 168733543) is [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane.

What is the SMILES notation for [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane?

The canonical SMILES for [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane is Cc1c2c(c(CC(C)(C)C)c3ccc(CC(C)(C)C)cc13)Oc1cc3cccc([Ge](C)(C)C)c3c3cc[n+](C)c-2c13.

What is the InChIKey of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane?

The InChIKey is YZHXLAATQIPRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46GeNO/c1-23-28-19-24(21-37(2,3)4)15-16-26(28)29(22-38(5,6)7)36-32(23)35-34-27(17-18-40(35)11)33-25(20-31(34)41-36)13-12-14-30(33)39(8,9)10/h12-20H,21-22H2,1-11H3/q+1.

What are the key properties of [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane?

[6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane has a molecular weight of 605.40 g/mol, XLogP of 9.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [6,10-bis(2,2-dimethylpropyl)-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaen-19-yl]-trimethylgermane is sourced from PubChem (CID 168733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).