8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

C16H24N4O6 — CID 145257031

IUPAC8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESO=C1N(CCCO)C2(CCC=NO2)C(=O)N(CCCO)C12CCC=NO2
InChIInChI=1S/C16H24N4O6/c21-11-3-9-19-14(24)16(6-2-8-18-26-16)20(10-4-12-22)13(23)15(19)5-1-7-17-25-15/h7-8,21-22H,1-6,9-12H2
InChIKeyAAILZCAIKVFGJQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP-0.59
Rot. Bonds6

About 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione

8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (PubChem CID 145257031) has the molecular formula C16H24N4O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.

Molecular Properties

Compound Name8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
PubChem CID145257031
Molecular FormulaC16H24N4O6
Molecular Weight368.39 g/mol
Exact Mass368.17
IUPAC Name8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
SMILESO=C1N(CCCO)C2(CCC=NO2)C(=O)N(CCCO)C12CCC=NO2
InChIInChI=1S/C16H24N4O6/c21-11-3-9-19-14(24)16(6-2-8-18-26-16)20(10-4-12-22)13(23)15(19)5-1-7-17-25-15/h7-8,21-22H,1-6,9-12H2
InChIKeyAAILZCAIKVFGJQ-UHFFFAOYSA-N
XLogP-0.59
TPSA124.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione with MolForge

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Related Compounds

8,16-Dimethyl-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione
CID 145257006
3-[8-(2-Carboxyethyl)-7,15-dioxo-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-dien-16-yl]propanoic acid
CID 145257029
3-[8-(3-Hydroxypropyl)-7,15-dioxo-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-dien-16-yl]propanoic acid
CID 145257035

Frequently Asked Questions

What is the IUPAC name of 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The IUPAC name of 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione (CID 145257031) is 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione.
What is the SMILES notation for 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The canonical SMILES for 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is O=C1N(CCCO)C2(CCC=NO2)C(=O)N(CCCO)C12CCC=NO2.
What is the InChIKey of 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
The InChIKey is AAILZCAIKVFGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O6/c21-11-3-9-19-14(24)16(6-2-8-18-26-16)20(10-4-12-22)13(23)15(19)5-1-7-17-25-15/h7-8,21-22H,1-6,9-12H2.
What are the key properties of 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione?
8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione has a molecular weight of 368.39 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8,16-bis(3-hydroxypropyl)-5,14-dioxa-4,8,13,16-tetrazadispiro[5.2.59.26]hexadeca-3,12-diene-7,15-dione is sourced from PubChem (CID 145257031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).