N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate

C77H139NO14 — CID 160957327

About N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate

N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate (PubChem CID 160957327) has the molecular formula C77H139NO14 and a molecular weight of 1302.95 g/mol. Its IUPAC name is N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate.

Molecular Properties

• Compound Name: N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate
• PubChem CID: 160957327
• Molecular Formula: C77H139NO14
• Molecular Weight: 1302.95 g/mol
• Exact Mass: 1302.02
• IUPAC Name: N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate
• SMILES: CCCCCC1C(=O)CCC1CC(=O)N(CC)CC.CCCCCC1C(=O)CCC1CC(=O)OCC=C(C)C.CCCCCC1C(CC(=O)OC)CCC1(OC)OC.CCCCCC1C(O)CCC1CC(=O)OCC=C(C)C.CCCCCC1C(O)CCC1CCO
• InChI: InChI=1S/C17H30O3.C17H28O3.C16H29NO2.C15H28O4.C12H24O2/c2*1-4-5-6-7-15-14(8-9-16(15)18)12-17(19)20-11-10-13(2)3;1-4-7-8-9-14-13(10-11-15(14)18)12-16(19)17(5-2)6-3;1-5-6-7-8-13-12(11-14(16)17-2)9-10-15(13,18-3)19-4;1-2-3-4-5-11-10(8-9-13)6-7-12(11)14/h10,14-16,18H,4-9,11-12H2,1-3H3;10,14-15H,4-9,11-12H2,1-3H3;13-14H,4-12H2,1-3H3;12-13H,5-11H2,1-4H3;10-14H,2-9H2,1H3
• InChIKey: SWOFEABJCPTNSS-UHFFFAOYSA-N
• XLogP: 16.82
• TPSA: 212.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 38
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1302.95
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate?

The IUPAC name of N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate (CID 160957327) is N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate.

What is the SMILES notation for N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate?

The canonical SMILES for N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate is CCCCCC1C(=O)CCC1CC(=O)N(CC)CC.CCCCCC1C(=O)CCC1CC(=O)OCC=C(C)C.CCCCCC1C(CC(=O)OC)CCC1(OC)OC.CCCCCC1C(O)CCC1CC(=O)OCC=C(C)C.CCCCCC1C(O)CCC1CCO.

What is the InChIKey of N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate?

The InChIKey is SWOFEABJCPTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3.C17H28O3.C16H29NO2.C15H28O4.C12H24O2/c2*1-4-5-6-7-15-14(8-9-16(15)18)12-17(19)20-11-10-13(2)3;1-4-7-8-9-14-13(10-11-15(14)18)12-16(19)17(5-2)6-3;1-5-6-7-8-13-12(11-14(16)17-2)9-10-15(13,18-3)19-4;1-2-3-4-5-11-10(8-9-13)6-7-12(11)14/h10,14-16,18H,4-9,11-12H2,1-3H3;10,14-15H,4-9,11-12H2,1-3H3;13-14H,4-12H2,1-3H3;12-13H,5-11H2,1-4H3;10-14H,2-9H2,1H3.

What are the key properties of N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate?

N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate has a molecular weight of 1302.95 g/mol, XLogP of 16.82, 38 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-(3-oxo-2-pentylcyclopentyl)acetamide;3-(2-hydroxyethyl)-2-pentylcyclopentan-1-ol;3-methylbut-2-enyl 2-(3-hydroxy-2-pentylcyclopentyl)acetate;3-methylbut-2-enyl 2-(3-oxo-2-pentylcyclopentyl)acetate;methyl 2-(3,3-dimethoxy-2-pentylcyclopentyl)acetate is sourced from PubChem (CID 160957327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).