3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane

C70H120N12O12 — CID 56620332

About 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane

3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 56620332) has the molecular formula C70H120N12O12 and a molecular weight of 1321.80 g/mol. Its IUPAC name is 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

• Compound Name: 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
• PubChem CID: 56620332
• Molecular Formula: C70H120N12O12
• Molecular Weight: 1321.80 g/mol
• Exact Mass: 1320.91
• IUPAC Name: 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane
• SMILES: CCC1(COc2nc(OCC3(CC)COC4(CC(C)(C)NC(C)(C)C4)OC3)nc(N3CCN(c4nc(OCC5(CC)COC6(CC(C)(C)NC(C)(C)C6)OC5)nc(OCC5(CC)COC6(CC(C)(C)NC(C)(C)C6)OC5)n4)CC3)n2)COC2(CC(C)(C)NC(C)(C)C2)OC1
• InChI: InChI=1S/C70H120N12O12/c1-21-63(41-87-67(88-42-63)29-55(5,6)77-56(7,8)30-67)37-83-51-71-49(72-52(75-51)84-38-64(22-2)43-89-68(90-44-64)31-57(9,10)78-58(11,12)32-68)81-25-27-82(28-26-81)50-73-53(85-39-65(23-3)45-91-69(92-46-65)33-59(13,14)79-60(15,16)34-69)76-54(74-50)86-40-66(24-4)47-93-70(94-48-66)35-61(17,18)80-62(19,20)36-70/h77-80H,21-48H2,1-20H3
• InChIKey: RSOZQAXDQHAQIR-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 242.70 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1321.80
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?

The IUPAC name of 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane (CID 56620332) is 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane.

What is the SMILES notation for 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?

The canonical SMILES for 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(COc2nc(OCC3(CC)COC4(CC(C)(C)NC(C)(C)C4)OC3)nc(N3CCN(c4nc(OCC5(CC)COC6(CC(C)(C)NC(C)(C)C6)OC5)nc(OCC5(CC)COC6(CC(C)(C)NC(C)(C)C6)OC5)n4)CC3)n2)COC2(CC(C)(C)NC(C)(C)C2)OC1.

What is the InChIKey of 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?

The InChIKey is RSOZQAXDQHAQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H120N12O12/c1-21-63(41-87-67(88-42-63)29-55(5,6)77-56(7,8)30-67)37-83-51-71-49(72-52(75-51)84-38-64(22-2)43-89-68(90-44-64)31-57(9,10)78-58(11,12)32-68)81-25-27-82(28-26-81)50-73-53(85-39-65(23-3)45-91-69(92-46-65)33-59(13,14)79-60(15,16)34-69)76-54(74-50)86-40-66(24-4)47-93-70(94-48-66)35-61(17,18)80-62(19,20)36-70/h77-80H,21-48H2,1-20H3.

What are the key properties of 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane?

3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 1321.80 g/mol, XLogP of 9.22, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[4-[4,6-bis[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]piperazin-1-yl]-6-[(3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]-1,3,5-triazin-2-yl]oxymethyl]-3-ethyl-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 56620332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).