bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate

C16H24N2O6 — CID 118644792

IUPACbis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate
SMILESO=C(OC1NCC12CCOCC2)C(=O)OC1NCC12CCOCC2
InChIInChI=1S/C16H24N2O6/c19-11(23-13-15(9-17-13)1-5-21-6-2-15)12(20)24-14-16(10-18-14)3-7-22-8-4-16/h13-14,17-18H,1-10H2
InChIKeyJIQJOJOZCLHWRO-UHFFFAOYSA-N
MW340.38 g/mol
LogP-0.47
Rot. Bonds2

About bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate

bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate (PubChem CID 118644792) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate.

Molecular Properties

Compound Namebis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate
PubChem CID118644792
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Namebis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate
SMILESO=C(OC1NCC12CCOCC2)C(=O)OC1NCC12CCOCC2
InChIInChI=1S/C16H24N2O6/c19-11(23-13-15(9-17-13)1-5-21-6-2-15)12(20)24-14-16(10-18-14)3-7-22-8-4-16/h13-14,17-18H,1-10H2
InChIKeyJIQJOJOZCLHWRO-UHFFFAOYSA-N
XLogP-0.47
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3R)-7-oxa-2-azaspiro[3.5]nonane-3-carboxylic acid
CID 125424405
methyl 7-oxa-2-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 126791141
(7-oxo-2-azaspiro[3.5]nonan-3-yl) 2,2,2-trifluoroacetate
CID 156785945
(3R)-7-oxaspiro[3.5]nonane-3-carboxylic acid
CID 125041561
methyl 8-oxa-2-azaspiro[4.5]decane-4-carboxylate
CID 104706034
[7-(2,2-difluoroethyl)-2,7-diazaspiro[3.5]nonan-3-yl] 2,2,2-trifluoroacetate
CID 140853686
(5R,9R)-2-oxa-7-azaspiro[4.4]nonane-9-carboxylic acid
CID 95255158
(4S)-4-hydroxy-8-oxa-2-azaspiro[4.5]decan-3-one
CID 125180842
(6-hydroxy-2-azaspiro[3.3]heptan-3-yl) 2,2,2-trifluoroacetate
CID 162512096
N-methoxy-6-oxaspiro[2.5]octane-2-carboxamide
CID 130684582
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031
2-methyl-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 121199824

Frequently Asked Questions

What is the IUPAC name of bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate?
The IUPAC name of bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate (CID 118644792) is bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate.
What is the SMILES notation for bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate?
The canonical SMILES for bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate is O=C(OC1NCC12CCOCC2)C(=O)OC1NCC12CCOCC2.
What is the InChIKey of bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate?
The InChIKey is JIQJOJOZCLHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c19-11(23-13-15(9-17-13)1-5-21-6-2-15)12(20)24-14-16(10-18-14)3-7-22-8-4-16/h13-14,17-18H,1-10H2.
What are the key properties of bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate?
bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate has a molecular weight of 340.38 g/mol, XLogP of -0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(7-oxa-2-azaspiro[3.5]nonan-3-yl) oxalate is sourced from PubChem (CID 118644792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).