6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol

C30H48O — CID 73105265

About 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol

6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol (PubChem CID 73105265) has the molecular formula C30H48O and a molecular weight of 424.71 g/mol. Its IUPAC name is 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol.

Molecular Properties

• Compound Name: 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol
• PubChem CID: 73105265
• Molecular Formula: C30H48O
• Molecular Weight: 424.71 g/mol
• Exact Mass: 424.37
• IUPAC Name: 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol
• SMILES: C=C1CC(O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCCC(C)(C)C3CCC21C
• InChI: InChI=1S/C30H48O/c1-19-18-25(31)30-17-10-20(19)21(30)11-15-29(6)24(30)9-8-23-27(4)14-7-13-26(2,3)22(27)12-16-28(23,29)5/h20-25,31H,1,7-18H2,2-6H3
• InChIKey: SOKBFLQIACLNGG-UHFFFAOYSA-N
• XLogP: 7.78
• TPSA: 20.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.71
LogP ≤ 5	7.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol?

The IUPAC name of 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol (CID 73105265) is 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol.

What is the SMILES notation for 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol?

The canonical SMILES for 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol is C=C1CC(O)C23CCC1C2CCC1(C)C3CCC2C3(C)CCCC(C)(C)C3CCC21C.

What is the InChIKey of 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol?

The InChIKey is SOKBFLQIACLNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48O/c1-19-18-25(31)30-17-10-20(19)21(30)11-15-29(6)24(30)9-8-23-27(4)14-7-13-26(2,3)22(27)12-16-28(23,29)5/h20-25,31H,1,7-18H2,2-6H3.

What are the key properties of 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol?

6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol has a molecular weight of 424.71 g/mol, XLogP of 7.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 6,10,10,14,15-pentamethyl-20-methylidenehexacyclo[17.3.2.01,18.02,15.05,14.06,11]tetracosan-22-ol is sourced from PubChem (CID 73105265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).