trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

C32H48F6O4 — CID 146718680

About trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol

trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol (PubChem CID 146718680) has the molecular formula C32H48F6O4 and a molecular weight of 610.72 g/mol. Its IUPAC name is trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol.

Molecular Properties

• Compound Name: trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
• PubChem CID: 146718680
• Molecular Formula: C32H48F6O4
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.35
• IUPAC Name: trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol
• SMILES: C/C(=C/C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](CCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C
• InChI: InChI=1S/C32H48F6O4/c1-20(19-30(42,31(33,34)35)32(36,37)38)15-23(8-5-13-28(2,3)41)27-12-11-26-22(7-6-14-29(26,27)4)10-9-21-16-24(39)18-25(40)17-21/h9-10,19,23-27,39-42H,5-8,11-18H2,1-4H3/b20-19-,22-10+/t23-,24-,25-,26?,27?,29+/m1/s1
• InChIKey: REMBURVYGOIDKN-BHMMIGJSSA-N
• XLogP: 7.71
• TPSA: 80.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol?

The IUPAC name of trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol (CID 146718680) is trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol.

What is the SMILES notation for trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol?

The canonical SMILES for trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol is C/C(=C/C(O)(C(F)(F)F)C(F)(F)F)C[C@@H](CCCC(C)(C)O)C1CCC2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C.

What is the InChIKey of trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol?

The InChIKey is REMBURVYGOIDKN-BHMMIGJSSA-N. The full InChI is InChI=1S/C32H48F6O4/c1-20(19-30(42,31(33,34)35)32(36,37)38)15-23(8-5-13-28(2,3)41)27-12-11-26-22(7-6-14-29(26,27)4)10-9-21-16-24(39)18-25(40)17-21/h9-10,19,23-27,39-42H,5-8,11-18H2,1-4H3/b20-19-,22-10+/t23-,24-,25-,26?,27?,29+/m1/s1.

What are the key properties of trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol?

trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol has a molecular weight of 610.72 g/mol, XLogP of 7.71, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R)-5-[(2E)-2-[(7aR)-7a-methyl-1-[(Z,6R)-1,1,1-trifluoro-2,10-dihydroxy-4,10-dimethyl-2-(trifluoromethyl)undec-3-en-6-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diol is sourced from PubChem (CID 146718680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).