1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione

C17H26N2O6 — CID 108949982

IUPAC1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H26N2O6/c20-14(18-5-1-16(2-6-18)22-9-10-23-16)13-15(21)19-7-3-17(4-8-19)24-11-12-25-17/h1-13H2
InChIKeyFYCZZPIRZRMZEA-UHFFFAOYSA-N
MW354.40 g/mol
LogP0.11
Rot. Bonds2

About 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione

1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione (PubChem CID 108949982) has the molecular formula C17H26N2O6 and a molecular weight of 354.40 g/mol. Its IUPAC name is 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione.

Molecular Properties

Compound Name1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione
PubChem CID108949982
Molecular FormulaC17H26N2O6
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione
SMILESO=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H26N2O6/c20-14(18-5-1-16(2-6-18)22-9-10-23-16)13-15(21)19-7-3-17(4-8-19)24-11-12-25-17/h1-13H2
InChIKeyFYCZZPIRZRMZEA-UHFFFAOYSA-N
XLogP0.11
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione?
The IUPAC name of 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione (CID 108949982) is 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione.
What is the SMILES notation for 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione?
The canonical SMILES for 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione is O=C(CC(=O)N1CCC2(CC1)OCCO2)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione?
The InChIKey is FYCZZPIRZRMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O6/c20-14(18-5-1-16(2-6-18)22-9-10-23-16)13-15(21)19-7-3-17(4-8-19)24-11-12-25-17/h1-13H2.
What are the key properties of 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione?
1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione has a molecular weight of 354.40 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propane-1,3-dione is sourced from PubChem (CID 108949982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).