4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one

C35H55NO5 — CID 73019899

About 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one

4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one (PubChem CID 73019899) has the molecular formula C35H55NO5 and a molecular weight of 569.83 g/mol. Its IUPAC name is 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one.

Molecular Properties

• Compound Name: 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one
• PubChem CID: 73019899
• Molecular Formula: C35H55NO5
• Molecular Weight: 569.83 g/mol
• Exact Mass: 569.41
• IUPAC Name: 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one
• SMILES: COCCOCCOCCN1CC(C)CC2OC3(CCC4C(=C(C)C3)CC3C4CCC4=CC(=O)CCC43C)C(C)C21
• InChI: InChI=1S/C35H55NO5/c1-23-18-32-33(36(22-23)12-13-39-16-17-40-15-14-38-5)25(3)35(41-32)11-9-28-29-7-6-26-19-27(37)8-10-34(26,4)31(29)20-30(28)24(2)21-35/h19,23,25,28-29,31-33H,6-18,20-22H2,1-5H3
• InChIKey: PICZWBGVUPMIKD-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 57.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.83
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one?

The IUPAC name of 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one (CID 73019899) is 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one.

What is the SMILES notation for 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one?

The canonical SMILES for 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one is COCCOCCOCCN1CC(C)CC2OC3(CCC4C(=C(C)C3)CC3C4CCC4=CC(=O)CCC43C)C(C)C21.

What is the InChIKey of 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one?

The InChIKey is PICZWBGVUPMIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H55NO5/c1-23-18-32-33(36(22-23)12-13-39-16-17-40-15-14-38-5)25(3)35(41-32)11-9-28-29-7-6-26-19-27(37)8-10-34(26,4)31(29)20-30(28)24(2)21-35/h19,23,25,28-29,31-33H,6-18,20-22H2,1-5H3.

What are the key properties of 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one?

4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one has a molecular weight of 569.83 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3',6',11,12b-tetramethylspiro[2,5,6,6a,6b,7,8,10,12,12a-decahydro-1H-naphtho[2,1-a]azulene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-one is sourced from PubChem (CID 73019899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).