22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone

C68H118N12O14 — CID 123562365

About 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone

22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone (PubChem CID 123562365) has the molecular formula C68H118N12O14 and a molecular weight of 1327.76 g/mol. Its IUPAC name is 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone.

Molecular Properties

• Compound Name: 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone
• PubChem CID: 123562365
• Molecular Formula: C68H118N12O14
• Molecular Weight: 1327.76 g/mol
• Exact Mass: 1326.89
• IUPAC Name: 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone
• SMILES: CC=CCC(C)C1OC(C)C2C(=O)N(C)C1C(=O)NC(CC)C(=O)N(C)C(C)C(=O)N(C)C(C(C)CN1CCC3(CC1)OCCO3)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N2C
• InChI: InChI=1S/C68H118N12O14/c1-24-26-27-42(11)56-55-60(84)71-48(25-2)63(87)73(17)46(15)62(86)77(21)53(43(12)37-80-30-28-68(29-31-80)92-32-33-93-68)59(83)72-52(41(9)10)66(90)74(18)49(34-38(3)4)58(82)69-44(13)57(81)70-45(14)61(85)75(19)50(35-39(5)6)64(88)76(20)51(36-40(7)8)65(89)78(22)54(47(16)94-56)67(91)79(55)23/h24,26,38-56H,25,27-37H2,1-23H3,(H,69,82)(H,70,81)(H,71,84)(H,72,83)
• InChIKey: AXYZQRYDWJRJKV-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 289.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.76
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone?

The IUPAC name of 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone (CID 123562365) is 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone.

What is the SMILES notation for 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone?

The canonical SMILES for 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone is CC=CCC(C)C1OC(C)C2C(=O)N(C)C1C(=O)NC(CC)C(=O)N(C)C(C)C(=O)N(C)C(C(C)CN1CCC3(CC1)OCCO3)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N2C.

What is the InChIKey of 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone?

The InChIKey is AXYZQRYDWJRJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H118N12O14/c1-24-26-27-42(11)56-55-60(84)71-48(25-2)63(87)73(17)46(15)62(86)77(21)53(43(12)37-80-30-28-68(29-31-80)92-32-33-93-68)59(83)72-52(41(9)10)66(90)74(18)49(34-38(3)4)58(82)69-44(13)57(81)70-45(14)61(85)75(19)50(35-39(5)6)64(88)76(20)51(36-40(7)8)65(89)78(22)54(47(16)94-56)67(91)79(55)23/h24,26,38-56H,25,27-37H2,1-23H3,(H,69,82)(H,70,81)(H,71,84)(H,72,83).

What are the key properties of 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone?

22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone has a molecular weight of 1327.76 g/mol, XLogP of 2.86, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 22-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-2-yl]-28-ethyl-32-hex-4-en-2-yl-2,5,8,10,13,17,23,25,26,34,36-undecamethyl-4,7,16-tris(2-methylpropyl)-19-propan-2-yl-33-oxa-2,5,8,11,14,17,20,23,26,29,36-undecazabicyclo[29.3.2]hexatriacontane-3,6,9,12,15,18,21,24,27,30,35-undecone is sourced from PubChem (CID 123562365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).