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

C12H23NO4 — CID 79885602

IUPAC8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOCCOCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO4/c1-14-8-9-15-7-6-13-4-2-12(3-5-13)16-10-11-17-12/h2-11H2,1H3
InChIKeyKJKJELVJGLDXTN-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.49
Rot. Bonds6

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

8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 79885602) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID79885602
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOCCOCCN1CCC2(CC1)OCCO2
InChIInChI=1S/C12H23NO4/c1-14-8-9-15-7-6-13-4-2-12(3-5-13)16-10-11-17-12/h2-11H2,1H3
InChIKeyKJKJELVJGLDXTN-UHFFFAOYSA-N
XLogP0.49
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
CID 135134424
13,16-bis[2-(2-methoxyethoxy)ethyl]-1,4,7,10-tetraoxa-13,16-diazacyclooctadecane
CID 14910697
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
[1-[2-(2-methoxyethoxy)ethyl]-4-methylpiperidin-4-yl]methanamine
CID 107160604
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
ethane;8-propyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 143370100
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)hexan-1-amine
CID 129354044
8-(3-methylsulfanylpropyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 115647631
1-[3-(2-methoxyethoxy)propyl]-4-methylazepan-4-ol
CID 107408407
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
4-(bromomethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567260
8-[3-(2-methoxyethoxy)propoxy]-1,4-dioxaspiro[4.5]decane
CID 103409869

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 79885602) is 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is COCCOCCN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KJKJELVJGLDXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-14-8-9-15-7-6-13-4-2-12(3-5-13)16-10-11-17-12/h2-11H2,1H3.
What are the key properties of 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 245.32 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methoxyethoxy)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 79885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).