7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate

C32H55NO7 — CID 57146715

About 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate

7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate (PubChem CID 57146715) has the molecular formula C32H55NO7 and a molecular weight of 565.79 g/mol. Its IUPAC name is 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate.

Molecular Properties

• Compound Name: 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate
• PubChem CID: 57146715
• Molecular Formula: C32H55NO7
• Molecular Weight: 565.79 g/mol
• Exact Mass: 565.40
• IUPAC Name: 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate
• SMILES: CCCCC[C@@H](C=C[C@@H]1[C@@H](CC=CCCCCOC(=O)NC)[C@@H](O)C[C@H]1OC1CCCCO1)OC1CCCCO1
• InChI: InChI=1S/C32H55NO7/c1-3-4-8-15-25(39-30-17-10-13-21-36-30)19-20-27-26(16-9-6-5-7-12-23-38-32(35)33-2)28(34)24-29(27)40-31-18-11-14-22-37-31/h6,9,19-20,25-31,34H,3-5,7-8,10-18,21-24H2,1-2H3,(H,33,35)/t25-,26+,27+,28-,29+,30?,31?/m0/s1
• InChIKey: LYEHQXCXIZZQBC-UZLKKCGHSA-N
• XLogP: 6.42
• TPSA: 95.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.79
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate?

The IUPAC name of 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate (CID 57146715) is 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate.

What is the SMILES notation for 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate?

The canonical SMILES for 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate is CCCCC[C@@H](C=C[C@@H]1[C@@H](CC=CCCCCOC(=O)NC)[C@@H](O)C[C@H]1OC1CCCCO1)OC1CCCCO1.

What is the InChIKey of 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate?

The InChIKey is LYEHQXCXIZZQBC-UZLKKCGHSA-N. The full InChI is InChI=1S/C32H55NO7/c1-3-4-8-15-25(39-30-17-10-13-21-36-30)19-20-27-26(16-9-6-5-7-12-23-38-32(35)33-2)28(34)24-29(27)40-31-18-11-14-22-37-31/h6,9,19-20,25-31,34H,3-5,7-8,10-18,21-24H2,1-2H3,(H,33,35)/t25-,26+,27+,28-,29+,30?,31?/m0/s1.

What are the key properties of 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate?

7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate has a molecular weight of 565.79 g/mol, XLogP of 6.42, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(1R,2R,3R,5S)-5-hydroxy-3-(oxan-2-yloxy)-2-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]hept-5-enyl N-methylcarbamate is sourced from PubChem (CID 57146715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).