3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane

C17H33NO3 — CID 135254028

IUPAC3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCCOC1(C)COC2(CC(C)(C)N(C)C(C)(C)C2)OC1
InChIInChI=1S/C17H33NO3/c1-8-9-19-16(6)12-20-17(21-13-16)10-14(2,3)18(7)15(4,5)11-17/h8-13H2,1-7H3
InChIKeyNKHJEKQVSSJDBM-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.20
Rot. Bonds3

About 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane

3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 135254028) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID135254028
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Name3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCCOC1(C)COC2(CC(C)(C)N(C)C(C)(C)C2)OC1
InChIInChI=1S/C17H33NO3/c1-8-9-19-16(6)12-20-17(21-13-16)10-14(2,3)18(7)15(4,5)11-17/h8-13H2,1-7H3
InChIKeyNKHJEKQVSSJDBM-UHFFFAOYSA-N
XLogP3.20
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane (CID 135254028) is 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane is CCCOC1(C)COC2(CC(C)(C)N(C)C(C)(C)C2)OC1.
What is the InChIKey of 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is NKHJEKQVSSJDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-8-9-19-16(6)12-20-17(21-13-16)10-14(2,3)18(7)15(4,5)11-17/h8-13H2,1-7H3.
What are the key properties of 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane?
3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 299.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8,9,10,10-hexamethyl-3-propoxy-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 135254028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).