ethyl formate;8-oxa-1-azaspiro[4.5]decane

C11H21NO3 — CID 161068190

IUPACethyl formate;8-oxa-1-azaspiro[4.5]decane
SMILESC1CNC2(C1)CCOCC2.CCOC=O
InChIInChI=1S/C8H15NO.C3H6O2/c1-2-8(9-5-1)3-6-10-7-4-8;1-2-5-3-4/h9H,1-7H2;3H,2H2,1H3
InChIKeyUEHRKKCSOMJBRB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds2

About ethyl formate;8-oxa-1-azaspiro[4.5]decane

ethyl formate;8-oxa-1-azaspiro[4.5]decane (PubChem CID 161068190) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl formate;8-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Nameethyl formate;8-oxa-1-azaspiro[4.5]decane
PubChem CID161068190
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl formate;8-oxa-1-azaspiro[4.5]decane
SMILESC1CNC2(C1)CCOCC2.CCOC=O
InChIInChI=1S/C8H15NO.C3H6O2/c1-2-8(9-5-1)3-6-10-7-4-8;1-2-5-3-4/h9H,1-7H2;3H,2H2,1H3
InChIKeyUEHRKKCSOMJBRB-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-oxa-1-azaspiro[3.5]nonane;hydrochloride
CID 122163983
ethyl formate;1-methylcyclobutan-1-amine
CID 174536210
2-azaspiro[4.5]decane;ethyl formate
CID 144702388
ethyl formate;(4-methylpiperidin-4-yl)methanol
CID 160700182
lithium;ethyl formate;hydroxide
CID 174914217
1-azaspiro[4.5]decane
CID 9092
calcium;ethyl formate;dichloride
CID 174827324
ethyl formate;methanol
CID 87496134
7,10-dioxa-1-azaspiro[4.6]undecane
CID 118210203
2-ethoxy-2-ethylpyrrolidine
CID 69498113
1,2-dibromoethane;1,2-dichloroethane;ethyl formate;oxirane
CID 161212108
2-oxa-5-azaspiro[3.4]octane
CID 54759126

Frequently Asked Questions

What is the IUPAC name of ethyl formate;8-oxa-1-azaspiro[4.5]decane?
The IUPAC name of ethyl formate;8-oxa-1-azaspiro[4.5]decane (CID 161068190) is ethyl formate;8-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for ethyl formate;8-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for ethyl formate;8-oxa-1-azaspiro[4.5]decane is C1CNC2(C1)CCOCC2.CCOC=O.
What is the InChIKey of ethyl formate;8-oxa-1-azaspiro[4.5]decane?
The InChIKey is UEHRKKCSOMJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C3H6O2/c1-2-8(9-5-1)3-6-10-7-4-8;1-2-5-3-4/h9H,1-7H2;3H,2H2,1H3.
What are the key properties of ethyl formate;8-oxa-1-azaspiro[4.5]decane?
ethyl formate;8-oxa-1-azaspiro[4.5]decane has a molecular weight of 215.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;8-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 161068190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).