3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane

C29H47NO5 — CID 23615030

IUPAC3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)COC2(CC(C)(CC)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(CC)C2C)OC1
InChIInChI=1S/C29H47NO5/c1-9-26(6)19-33-29(34-20-26)18-27(7,10-2)30(28(8,11-3)22(29)5)35-21(4)23-12-14-24(15-13-23)31-16-25-17-32-25/h12-15,21-22,25H,9-11,16-20H2,1-8H3
InChIKeyBKGUKKDFUYNASS-UHFFFAOYSA-N
MW489.70 g/mol
LogP6.30
Rot. Bonds9

About 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane

3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 23615030) has the molecular formula C29H47NO5 and a molecular weight of 489.70 g/mol. Its IUPAC name is 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID23615030
Molecular FormulaC29H47NO5
Molecular Weight489.70 g/mol
Exact Mass489.35
IUPAC Name3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)COC2(CC(C)(CC)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(CC)C2C)OC1
InChIInChI=1S/C29H47NO5/c1-9-26(6)19-33-29(34-20-26)18-27(7,10-2)30(28(8,11-3)22(29)5)35-21(4)23-12-14-24(15-13-23)31-16-25-17-32-25/h12-15,21-22,25H,9-11,16-20H2,1-8H3
InChIKeyBKGUKKDFUYNASS-UHFFFAOYSA-N
XLogP6.30
TPSA52.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.70
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane (CID 23615030) is 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)COC2(CC(C)(CC)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(CC)C2C)OC1.
What is the InChIKey of 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is BKGUKKDFUYNASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H47NO5/c1-9-26(6)19-33-29(34-20-26)18-27(7,10-2)30(28(8,11-3)22(29)5)35-21(4)23-12-14-24(15-13-23)31-16-25-17-32-25/h12-15,21-22,25H,9-11,16-20H2,1-8H3.
What are the key properties of 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 489.70 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 23615030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).