trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)

C26H42O2Y2 — CID 59087067

About trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)

trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium) (PubChem CID 59087067) has the molecular formula C26H42O2Y2 and a molecular weight of 564.43 g/mol. Its IUPAC name is trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium).

Molecular Properties

• Compound Name: trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)
• PubChem CID: 59087067
• Molecular Formula: C26H42O2Y2
• Molecular Weight: 564.43 g/mol
• Exact Mass: 564.13
• IUPAC Name: trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)
• SMILES: C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCC(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1C.[Y].[Y]
• InChI: InChI=1S/C26H42O2.2Y/c1-17(8-9-19(3)27)24-12-13-25-21(7-6-14-26(24,25)5)10-11-22-16-23(28)15-18(2)20(22)4;;/h10-11,17-19,23-25,27-28H,4,6-9,12-16H2,1-3,5H3;;/b21-10+,22-11-;;/t17-,18+,19?,23+,24?,25+,26-;;/m1../s1
• InChIKey: YQSBNGAJZUCIEE-WDGIBTCPSA-N
• XLogP: 6.19
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.43
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)?

The IUPAC name of trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium) (CID 59087067) is trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium).

What is the SMILES notation for trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)?

The canonical SMILES for trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium) is C=C1/C(=C\C=C2/CCC[C@]3(C)C([C@H](C)CCC(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1C.[Y].[Y].

What is the InChIKey of trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)?

The InChIKey is YQSBNGAJZUCIEE-WDGIBTCPSA-N. The full InChI is InChI=1S/C26H42O2.2Y/c1-17(8-9-19(3)27)24-12-13-25-21(7-6-14-26(24,25)5)10-11-22-16-23(28)15-18(2)20(22)4;;/h10-11,17-19,23-25,27-28H,4,6-9,12-16H2,1-3,5H3;;/b21-10+,22-11-;;/t17-,18+,19?,23+,24?,25+,26-;;/m1../s1.

What are the key properties of trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium)?

trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium) has a molecular weight of 564.43 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,3Z,5S)-3-[(2E)-2-[(3aS,7aR)-1-[(2R)-5-hydroxyhexan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-methyl-4-methylidenecyclohexan-1-ol;bis(yttrium) is sourced from PubChem (CID 59087067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).