bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid

C24H40N2O8 — CID 127263574

IUPACbis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
SMILESC1CC2(CCNC2)CC2(C1)OCCO2.C1CC2(CCNC2)CC2(C1)OCCO2.O=C(O)C(=O)O
InChIInChI=1S/2C11H19NO2.C2H2O4/c2*1-2-10(4-5-12-9-10)8-11(3-1)13-6-7-14-11;3-1(4)2(5)6/h2*12H,1-9H2;(H,3,4)(H,5,6)
InChIKeySAKULPIUWNOIGK-UHFFFAOYSA-N
MW484.59 g/mol
LogP1.72
Rot. Bonds

About bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid

bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid (PubChem CID 127263574) has the molecular formula C24H40N2O8 and a molecular weight of 484.59 g/mol. Its IUPAC name is bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid.

Molecular Properties

Compound Namebis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
PubChem CID127263574
Molecular FormulaC24H40N2O8
Molecular Weight484.59 g/mol
Exact Mass484.28
IUPAC Namebis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid
SMILESC1CC2(CCNC2)CC2(C1)OCCO2.C1CC2(CCNC2)CC2(C1)OCCO2.O=C(O)C(=O)O
InChIInChI=1S/2C11H19NO2.C2H2O4/c2*1-2-10(4-5-12-9-10)8-11(3-1)13-6-7-14-11;3-1(4)2(5)6/h2*12H,1-9H2;(H,3,4)(H,5,6)
InChIKeySAKULPIUWNOIGK-UHFFFAOYSA-N
XLogP1.72
TPSA135.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3,9-diazaspiro[5.5]undecane;1,4-dioxaspiro[4.5]decane
CID 142351057
bis(8-oxa-2-azaspiro[4.5]decane);oxalic acid
CID 90645632
2-oxa-7-azaspiro[4.4]nonane;oxalic acid
CID 171322884
6-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 90185681
2-oxa-8-azaspiro[4.5]decane;oxalic acid
CID 71464355
bis(2λ6-thia-7-azaspiro[3.4]octane 2,2-dioxide);oxalic acid
CID 112758336
bis(8,8-difluoro-2-azaspiro[4.5]decane);oxalic acid
CID 127263576
1,4-dioxadispiro[4.1.57.15]tridecane
CID 177024973
12-azadispiro[3.1.46.34]tridecane
CID 130118799
2-azaspiro[3.3]heptane;5-azaspiro[2.4]heptane
CID 170601553
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
11-azadispiro[4.2.58.25]pentadecane
CID 114820262

Frequently Asked Questions

What is the IUPAC name of bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid?
The IUPAC name of bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid (CID 127263574) is bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid.
What is the SMILES notation for bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid?
The canonical SMILES for bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid is C1CC2(CCNC2)CC2(C1)OCCO2.C1CC2(CCNC2)CC2(C1)OCCO2.O=C(O)C(=O)O.
What is the InChIKey of bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid?
The InChIKey is SAKULPIUWNOIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19NO2.C2H2O4/c2*1-2-10(4-5-12-9-10)8-11(3-1)13-6-7-14-11;3-1(4)2(5)6/h2*12H,1-9H2;(H,3,4)(H,5,6).
What are the key properties of bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid?
bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid has a molecular weight of 484.59 g/mol, XLogP of 1.72, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8,11-dioxa-3-azadispiro[4.1.47.35]tetradecane);oxalic acid is sourced from PubChem (CID 127263574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).