4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol

C40H58O2 — CID 73229462

About 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol

4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol (PubChem CID 73229462) has the molecular formula C40H58O2 and a molecular weight of 570.90 g/mol. Its IUPAC name is 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol.

Molecular Properties

• Compound Name: 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol
• PubChem CID: 73229462
• Molecular Formula: C40H58O2
• Molecular Weight: 570.90 g/mol
• Exact Mass: 570.44
• IUPAC Name: 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol
• SMILES: CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C
• InChI: InChI=1S/C40H58O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-28-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-38-36(6)29-37(41)30-39(38,7)8/h11-15,17-24,26-27,37,41-42H,16,25,28-30H2,1-10H3
• InChIKey: WDDWAHBJFHEOHV-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.90
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol?

The IUPAC name of 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol (CID 73229462) is 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol.

What is the SMILES notation for 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol?

The canonical SMILES for 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol is CC(C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C.

What is the InChIKey of 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol?

The InChIKey is WDDWAHBJFHEOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O2/c1-31(19-13-21-33(3)22-14-23-34(4)25-16-28-40(9,10)42)17-11-12-18-32(2)20-15-24-35(5)26-27-38-36(6)29-37(41)30-39(38,7)8/h11-15,17-24,26-27,37,41-42H,16,25,28-30H2,1-10H3.

What are the key properties of 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol?

4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol has a molecular weight of 570.90 g/mol, XLogP of 10.94, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(24-hydroxy-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19-decaenyl)-3,5,5-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 73229462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).