5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver

C65H110AgO11 — CID 160827405

About 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver

5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver (PubChem CID 160827405) has the molecular formula C65H110AgO11 and a molecular weight of 1175.45 g/mol. Its IUPAC name is 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver.

Molecular Properties

• Compound Name: 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver
• PubChem CID: 160827405
• Molecular Formula: C65H110AgO11
• Molecular Weight: 1175.45 g/mol
• Exact Mass: 1173.71
• IUPAC Name: 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver
• SMILES: C.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCC(=O)O.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCC(=O)O.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCC=O.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCCO.O=[Ag]
• InChI: InChI=1S/2C16H26O3.C16H28O2.C16H26O2.CH4.Ag.O/c2*1-13(17)8-4-2-3-5-9-14-12-15(14)10-6-7-11-16(18)19;2*1-14(18)9-5-2-3-6-10-15-13-16(15)11-7-4-8-12-17;;;/h2*2-4,8,13-15,17H,5-7,9-12H2,1H3,(H,18,19);2-3,5,9,14-18H,4,6-8,10-13H2,1H3;2-3,5,9,12,14-16,18H,4,6-8,10-11,13H2,1H3;1H4;;/b2*3-2-,8-4+;2*3-2-,9-5+;;;/t2*13?,14-,15+;2*14?,15-,16+;;;/m0000.../s1
• InChIKey: ZQLARHCUIRHNJP-APRUFGEOSA-N
• XLogP: 14.70
• TPSA: 209.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 9
• Rotatable Bonds: 40
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1175.45
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver?

The IUPAC name of 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver (CID 160827405) is 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver.

What is the SMILES notation for 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver?

The canonical SMILES for 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver is C.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCC(=O)O.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCC(=O)O.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCC=O.CC(O)/C=C/C=C\CC[C@H]1C[C@H]1CCCCCO.O=[Ag].

What is the InChIKey of 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver?

The InChIKey is ZQLARHCUIRHNJP-APRUFGEOSA-N. The full InChI is InChI=1S/2C16H26O3.C16H28O2.C16H26O2.CH4.Ag.O/c2*1-13(17)8-4-2-3-5-9-14-12-15(14)10-6-7-11-16(18)19;2*1-14(18)9-5-2-3-6-10-15-13-16(15)11-7-4-8-12-17;;;/h2*2-4,8,13-15,17H,5-7,9-12H2,1H3,(H,18,19);2-3,5,9,14-18H,4,6-8,10-13H2,1H3;2-3,5,9,12,14-16,18H,4,6-8,10-11,13H2,1H3;1H4;;/b2*3-2-,8-4+;2*3-2-,9-5+;;;/t2*13?,14-,15+;2*14?,15-,16+;;;/m0000.../s1.

What are the key properties of 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver?

5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver has a molecular weight of 1175.45 g/mol, XLogP of 14.70, 40 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanal;bis(5-[(1R,2S)-2-[(3Z,5E)-7-hydroxyocta-3,5-dienyl]cyclopropyl]pentanoic acid);(3E,5Z)-8-[(1S,2R)-2-(5-hydroxypentyl)cyclopropyl]octa-3,5-dien-2-ol;methane;oxosilver is sourced from PubChem (CID 160827405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).