6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone

C48H80N6O14 — CID 162847726

About 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone

6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone (PubChem CID 162847726) has the molecular formula C48H80N6O14 and a molecular weight of 965.20 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone.

Molecular Properties

• Compound Name: 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone
• PubChem CID: 162847726
• Molecular Formula: C48H80N6O14
• Molecular Weight: 965.20 g/mol
• Exact Mass: 964.57
• IUPAC Name: 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone
• SMILES: CC(C)CC1OC(=O)C(C)N(C)C(=O)C2CC(C)CN2C(=O)C(C(C)C)OC(=O)C(C(C)O)NC(=O)C(C(C)C)N(C)C(=O)C(CC(C)CO)N(C)C(=O)C(CC(C)C)OC(=O)C2(CC2)NC1=O
• InChI: InChI=1S/C48H80N6O14/c1-24(2)18-34-39(57)50-48(16-17-48)47(65)67-35(19-25(3)4)43(61)52(14)32(21-29(10)23-55)41(59)53(15)37(26(5)6)40(58)49-36(31(12)56)46(64)68-38(27(7)8)44(62)54-22-28(9)20-33(54)42(60)51(13)30(11)45(63)66-34/h24-38,55-56H,16-23H2,1-15H3,(H,49,58)(H,50,57)
• InChIKey: ICIFUYNGGQZJIK-UHFFFAOYSA-N
• XLogP: 1.41
• TPSA: 258.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.20
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone?

The IUPAC name of 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone (CID 162847726) is 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone.

What is the SMILES notation for 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone?

The canonical SMILES for 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone is CC(C)CC1OC(=O)C(C)N(C)C(=O)C2CC(C)CN2C(=O)C(C(C)C)OC(=O)C(C(C)O)NC(=O)C(C(C)C)N(C)C(=O)C(CC(C)CO)N(C)C(=O)C(CC(C)C)OC(=O)C2(CC2)NC1=O.

What is the InChIKey of 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone?

The InChIKey is ICIFUYNGGQZJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H80N6O14/c1-24(2)18-34-39(57)50-48(16-17-48)47(65)67-35(19-25(3)4)43(61)52(14)32(21-29(10)23-55)41(59)53(15)37(26(5)6)40(58)49-36(31(12)56)46(64)68-38(27(7)8)44(62)54-22-28(9)20-33(54)42(60)51(13)30(11)45(63)66-34/h24-38,55-56H,16-23H2,1-15H3,(H,49,58)(H,50,57).

What are the key properties of 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone?

6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone has a molecular weight of 965.20 g/mol, XLogP of 1.41, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-hydroxyethyl)-12-(3-hydroxy-2-methylpropyl)-10,13,24,25,29-pentamethyl-15,21-bis(2-methylpropyl)-3,9-di(propan-2-yl)spiro[4,16,22-trioxa-1,7,10,13,19,25-hexazabicyclo[25.3.0]triacontane-18,1'-cyclopropane]-2,5,8,11,14,17,20,23,26-nonone is sourced from PubChem (CID 162847726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).