(6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol

C24H36O2 — CID 176911728

About (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol

(6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (PubChem CID 176911728) has the molecular formula C24H36O2 and a molecular weight of 356.55 g/mol. Its IUPAC name is (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol.

Molecular Properties

• Compound Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
• PubChem CID: 176911728
• Molecular Formula: C24H36O2
• Molecular Weight: 356.55 g/mol
• Exact Mass: 356.27
• IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
• SMILES: C=CCc1c(CCCCC)cc2c(c1O)[C@@H]1CC(C)CC[C@H]1C(C)(C)O2
• InChI: InChI=1S/C24H36O2/c1-6-8-9-11-17-15-21-22(23(25)18(17)10-7-2)19-14-16(3)12-13-20(19)24(4,5)26-21/h7,15-16,19-20,25H,2,6,8-14H2,1,3-5H3/t16?,19-,20-/m1/s1
• InChIKey: GBLPYLMDWVFRGC-ODFWGIBRSA-N
• XLogP: 6.54
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.55
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?

The IUPAC name of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol (CID 176911728) is (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol.

What is the SMILES notation for (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?

The canonical SMILES for (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol is C=CCc1c(CCCCC)cc2c(c1O)[C@@H]1CC(C)CC[C@H]1C(C)(C)O2.

What is the InChIKey of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?

The InChIKey is GBLPYLMDWVFRGC-ODFWGIBRSA-N. The full InChI is InChI=1S/C24H36O2/c1-6-8-9-11-17-15-21-22(23(25)18(17)10-7-2)19-14-16(3)12-13-20(19)24(4,5)26-21/h7,15-16,19-20,25H,2,6,8-14H2,1,3-5H3/t16?,19-,20-/m1/s1.

What are the key properties of (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol?

(6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol has a molecular weight of 356.55 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR,10aR)-6,6,9-trimethyl-3-pentyl-2-prop-2-enyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol is sourced from PubChem (CID 176911728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).