8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H26NO5P — CID 42631926

IUPAC8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCOP(=O)(CCN1CCC2(CC1)OCCO2)OCC
InChIInChI=1S/C13H26NO5P/c1-3-18-20(15,19-4-2)12-9-14-7-5-13(6-8-14)16-10-11-17-13/h3-12H2,1-2H3
InChIKeyPPJCAWBLXNAOKM-UHFFFAOYSA-N
MW307.33 g/mol
LogP2.09
Rot. Bonds7

About 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 42631926) has the molecular formula C13H26NO5P and a molecular weight of 307.33 g/mol. Its IUPAC name is 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID42631926
Molecular FormulaC13H26NO5P
Molecular Weight307.33 g/mol
Exact Mass307.15
IUPAC Name8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCCOP(=O)(CCN1CCC2(CC1)OCCO2)OCC
InChIInChI=1S/C13H26NO5P/c1-3-18-20(15,19-4-2)12-9-14-7-5-13(6-8-14)16-10-11-17-13/h3-12H2,1-2H3
InChIKeyPPJCAWBLXNAOKM-UHFFFAOYSA-N
XLogP2.09
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 42631926) is 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is CCOP(=O)(CCN1CCC2(CC1)OCCO2)OCC.
What is the InChIKey of 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is PPJCAWBLXNAOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO5P/c1-3-18-20(15,19-4-2)12-9-14-7-5-13(6-8-14)16-10-11-17-13/h3-12H2,1-2H3.
What are the key properties of 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 307.33 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-diethoxyphosphorylethyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 42631926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).