3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane

C42H80N2O8 — CID 91329171

IUPAC3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(COCCCCCCOCC2(CC)OCC3(CO2)CC(C)(CC)N(O)C(C)(CC)C3C)COC2(CC(C)(CC)N(O)C(C)(CC)C2C)OC1
InChIInChI=1S/C42H80N2O8/c1-13-35(9)25-40(33(7)37(11,15-3)43(35)45)30-49-41(18-6,50-31-40)32-48-24-22-20-19-21-23-47-27-39(17-5)28-51-42(52-29-39)26-36(10,14-2)44(46)38(12,16-4)34(42)8/h33-34,45-46H,13-32H2,1-12H3
InChIKeyNEPXHYVRELKWPE-UHFFFAOYSA-N
MW741.11 g/mol
LogP9.00
Rot. Bonds17

About 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane

3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane (PubChem CID 91329171) has the molecular formula C42H80N2O8 and a molecular weight of 741.11 g/mol. Its IUPAC name is 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane
PubChem CID91329171
Molecular FormulaC42H80N2O8
Molecular Weight741.11 g/mol
Exact Mass740.59
IUPAC Name3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(COCCCCCCOCC2(CC)OCC3(CO2)CC(C)(CC)N(O)C(C)(CC)C3C)COC2(CC(C)(CC)N(O)C(C)(CC)C2C)OC1
InChIInChI=1S/C42H80N2O8/c1-13-35(9)25-40(33(7)37(11,15-3)43(35)45)30-49-41(18-6,50-31-40)32-48-24-22-20-19-21-23-47-27-39(17-5)28-51-42(52-29-39)26-36(10,14-2)44(46)38(12,16-4)34(42)8/h33-34,45-46H,13-32H2,1-12H3
InChIKeyNEPXHYVRELKWPE-UHFFFAOYSA-N
XLogP9.00
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.11
LogP ≤ 59.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane (CID 91329171) is 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane is CCC1(COCCCCCCOCC2(CC)OCC3(CO2)CC(C)(CC)N(O)C(C)(CC)C3C)COC2(CC(C)(CC)N(O)C(C)(CC)C2C)OC1.
What is the InChIKey of 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is NEPXHYVRELKWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H80N2O8/c1-13-35(9)25-40(33(7)37(11,15-3)43(35)45)30-49-41(18-6,50-31-40)32-48-24-22-20-19-21-23-47-27-39(17-5)28-51-42(52-29-39)26-36(10,14-2)44(46)38(12,16-4)34(42)8/h33-34,45-46H,13-32H2,1-12H3.
What are the key properties of 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane?
3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 741.11 g/mol, XLogP of 9.00, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91329171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).