[(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol

C26H42O2 — CID 88936807

About [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol

[(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol (PubChem CID 88936807) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol.

Molecular Properties

• Compound Name: [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol
• PubChem CID: 88936807
• Molecular Formula: C26H42O2
• Molecular Weight: 386.62 g/mol
• Exact Mass: 386.32
• IUPAC Name: [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol
• SMILES: C=C1[C@H](CO)C/C(=C/C=C2\CCC[C@]3(C)[C@@H](C(C)(C)CC)CC[C@@H]23)C[C@H]1OC
• InChI: InChI=1S/C26H42O2/c1-7-25(3,4)24-13-12-22-20(9-8-14-26(22,24)5)11-10-19-15-21(17-27)18(2)23(16-19)28-6/h10-11,21-24,27H,2,7-9,12-17H2,1,3-6H3/b19-10-,20-11+/t21-,22-,23+,24+,26-/m0/s1
• InChIKey: XKFOQZLNFISVDJ-YIFFKOTNSA-N
• XLogP: 6.47
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.62
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol?

The IUPAC name of [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol (CID 88936807) is [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol.

What is the SMILES notation for [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol?

The canonical SMILES for [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol is C=C1[C@H](CO)C/C(=C/C=C2\CCC[C@]3(C)[C@@H](C(C)(C)CC)CC[C@@H]23)C[C@H]1OC.

What is the InChIKey of [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol?

The InChIKey is XKFOQZLNFISVDJ-YIFFKOTNSA-N. The full InChI is InChI=1S/C26H42O2/c1-7-25(3,4)24-13-12-22-20(9-8-14-26(22,24)5)11-10-19-15-21(17-27)18(2)23(16-19)28-6/h10-11,21-24,27H,2,7-9,12-17H2,1,3-6H3/b19-10-,20-11+/t21-,22-,23+,24+,26-/m0/s1.

What are the key properties of [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol?

[(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol has a molecular weight of 386.62 g/mol, XLogP of 6.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-(2-methylbutan-2-yl)-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-3-methoxy-2-methylidenecyclohexyl]methanol is sourced from PubChem (CID 88936807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).