1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione

C26H40O2 — CID 90871527

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione (PubChem CID 90871527) has the molecular formula C26H40O2 and a molecular weight of 384.60 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione.

Molecular Properties

• Compound Name: 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione
• PubChem CID: 90871527
• Molecular Formula: C26H40O2
• Molecular Weight: 384.60 g/mol
• Exact Mass: 384.30
• IUPAC Name: 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione
• SMILES: C=C(CCCCC(=O)C1CCCC2CCCCC21)C(=O)C(=C)C1CCCCC1
• InChI: InChI=1S/C26H40O2/c1-19(26(28)20(2)21-12-4-3-5-13-21)11-6-9-18-25(27)24-17-10-15-22-14-7-8-16-23(22)24/h21-24H,1-18H2
• InChIKey: BFGOQAKRAMPCEQ-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.60
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione?

The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione (CID 90871527) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione.

What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione?

The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione is C=C(CCCCC(=O)C1CCCC2CCCCC21)C(=O)C(=C)C1CCCCC1.

What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione?

The InChIKey is BFGOQAKRAMPCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40O2/c1-19(26(28)20(2)21-12-4-3-5-13-21)11-6-9-18-25(27)24-17-10-15-22-14-7-8-16-23(22)24/h21-24H,1-18H2.

What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione?

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione has a molecular weight of 384.60 g/mol, XLogP of 6.98, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-8-cyclohexyl-6-methylidenenon-8-ene-1,7-dione is sourced from PubChem (CID 90871527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).