[3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum

C49H84MoNO10- — CID 155743259

About [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum

[3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum (PubChem CID 155743259) has the molecular formula C49H84MoNO10- and a molecular weight of 943.15 g/mol. Its IUPAC name is [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum.

Molecular Properties

• Compound Name: [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum
• PubChem CID: 155743259
• Molecular Formula: C49H84MoNO10-
• Molecular Weight: 943.15 g/mol
• Exact Mass: 944.52
• IUPAC Name: [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum
• SMILES: CC/C=C\CC1C(CC(=O)OCCC(CCCCCCCC)OC(=O)CCCCC(COC(=O)CCCCC)COC(=O)CCCCC)CCC1OC(=O)C1(C)CC[N-]C1.[Mo]
• InChI: InChI=1S/C49H84NO10.Mo/c1-6-10-14-15-16-20-24-41(59-46(53)28-22-21-23-39(36-57-44(51)26-18-12-8-3)37-58-45(52)27-19-13-9-4)31-34-56-47(54)35-40-29-30-43(42(40)25-17-11-7-2)60-48(55)49(5)32-33-50-38-49;/h11,17,39-43H,6-10,12-16,18-38H2,1-5H3;/q-1;/b17-11-
• InChIKey: SQXZTNIGXWFHJN-CULRIWENSA-N
• XLogP: 11.47
• TPSA: 145.60 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 35
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.15
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum?

The IUPAC name of [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum (CID 155743259) is [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum.

What is the SMILES notation for [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum?

The canonical SMILES for [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum is CC/C=C\CC1C(CC(=O)OCCC(CCCCCCCC)OC(=O)CCCCC(COC(=O)CCCCC)COC(=O)CCCCC)CCC1OC(=O)C1(C)CC[N-]C1.[Mo].

What is the InChIKey of [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum?

The InChIKey is SQXZTNIGXWFHJN-CULRIWENSA-N. The full InChI is InChI=1S/C49H84NO10.Mo/c1-6-10-14-15-16-20-24-41(59-46(53)28-22-21-23-39(36-57-44(51)26-18-12-8-3)37-58-45(52)27-19-13-9-4)31-34-56-47(54)35-40-29-30-43(42(40)25-17-11-7-2)60-48(55)49(5)32-33-50-38-49;/h11,17,39-43H,6-10,12-16,18-38H2,1-5H3;/q-1;/b17-11-;.

What are the key properties of [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum?

[3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum has a molecular weight of 943.15 g/mol, XLogP of 11.47, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[3-[7-hexanoyloxy-6-(hexanoyloxymethyl)heptanoyl]oxyundecoxy]-2-oxoethyl]-2-[(Z)-pent-2-enyl]cyclopentyl] 3-methylpyrrolidin-1-ide-3-carboxylate;molybdenum is sourced from PubChem (CID 155743259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).