butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid

C36H70O4 — CID 143063574

About butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid

butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid (PubChem CID 143063574) has the molecular formula C36H70O4 and a molecular weight of 566.95 g/mol. Its IUPAC name is butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid.

Molecular Properties

• Compound Name: butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
• PubChem CID: 143063574
• Molecular Formula: C36H70O4
• Molecular Weight: 566.95 g/mol
• Exact Mass: 566.53
• IUPAC Name: butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid
• SMILES: CC.CC.CC.CC.CCCC.CO[C@@H](CCc1ccccc1)CCC1[C@@H](C/C=C\CCCC(=O)O)CC[C@H]1O
• InChI: InChI=1S/C24H36O4.C4H10.4C2H6/c1-28-21(15-13-19-9-5-4-6-10-19)16-17-22-20(14-18-23(22)25)11-7-2-3-8-12-24(26)27;1-3-4-2;4*1-2/h2,4-7,9-10,20-23,25H,3,8,11-18H2,1H3,(H,26,27);3-4H2,1-2H3;4*1-2H3/b7-2-;;;;;/t20-,21-,22?,23+;;;;;/m0...../s1
• InChIKey: RGYBDAIDLMIHFZ-QEHOFUGSSA-N
• XLogP: 10.91
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.95
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid?

The IUPAC name of butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid (CID 143063574) is butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid.

What is the SMILES notation for butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid?

The canonical SMILES for butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid is CC.CC.CC.CC.CCCC.CO[C@@H](CCc1ccccc1)CCC1[C@@H](C/C=C\CCCC(=O)O)CC[C@H]1O.

What is the InChIKey of butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid?

The InChIKey is RGYBDAIDLMIHFZ-QEHOFUGSSA-N. The full InChI is InChI=1S/C24H36O4.C4H10.4C2H6/c1-28-21(15-13-19-9-5-4-6-10-19)16-17-22-20(14-18-23(22)25)11-7-2-3-8-12-24(26)27;1-3-4-2;4*1-2/h2,4-7,9-10,20-23,25H,3,8,11-18H2,1H3,(H,26,27);3-4H2,1-2H3;4*1-2H3/b7-2-;;;;;/t20-,21-,22?,23+;;;;;/m0...../s1.

What are the key properties of butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid?

butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid has a molecular weight of 566.95 g/mol, XLogP of 10.91, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for butane;ethane;(Z)-7-[(1R,3R)-3-hydroxy-2-[(3R)-3-methoxy-5-phenylpentyl]cyclopentyl]hept-5-enoic acid is sourced from PubChem (CID 143063574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).