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

C40H76N2O8 — CID 69267645

IUPAC3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(COCCCCCCOCC2(CC)COC3(CC(C)(C)N(O)C(CC)(CC)C3)OC2)COC2(CC(C)(C)N(O)C(CC)(CC)C2)OC1
InChIInChI=1S/C40H76N2O8/c1-11-35(29-47-39(48-30-35)23-33(7,8)41(43)37(13-3,14-4)25-39)27-45-21-19-17-18-20-22-46-28-36(12-2)31-49-40(50-32-36)24-34(9,10)42(44)38(15-5,16-6)26-40/h43-44H,11-32H2,1-10H3
InChIKeyCEEMCPZQIWUMIR-UHFFFAOYSA-N
MW713.05 g/mol
LogP8.50
Rot. Bonds17

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

3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 69267645) has the molecular formula C40H76N2O8 and a molecular weight of 713.05 g/mol. Its IUPAC name is 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID69267645
Molecular FormulaC40H76N2O8
Molecular Weight713.05 g/mol
Exact Mass712.56
IUPAC Name3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(COCCCCCCOCC2(CC)COC3(CC(C)(C)N(O)C(CC)(CC)C3)OC2)COC2(CC(C)(C)N(O)C(CC)(CC)C2)OC1
InChIInChI=1S/C40H76N2O8/c1-11-35(29-47-39(48-30-35)23-33(7,8)41(43)37(13-3,14-4)25-39)27-45-21-19-17-18-20-22-46-28-36(12-2)31-49-40(50-32-36)24-34(9,10)42(44)38(15-5,16-6)26-40/h43-44H,11-32H2,1-10H3
InChIKeyCEEMCPZQIWUMIR-UHFFFAOYSA-N
XLogP8.50
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.05
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane (CID 69267645) is 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(COCCCCCCOCC2(CC)COC3(CC(C)(C)N(O)C(CC)(CC)C3)OC2)COC2(CC(C)(C)N(O)C(CC)(CC)C2)OC1.
What is the InChIKey of 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is CEEMCPZQIWUMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H76N2O8/c1-11-35(29-47-39(48-30-35)23-33(7,8)41(43)37(13-3,14-4)25-39)27-45-21-19-17-18-20-22-46-28-36(12-2)31-49-40(50-32-36)24-34(9,10)42(44)38(15-5,16-6)26-40/h43-44H,11-32H2,1-10H3.
What are the key properties of 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane?
3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 713.05 g/mol, XLogP of 8.50, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 69267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).