2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione

C17H11NO5 — CID 19374775

IUPAC2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione
SMILESO=c1on(OCC#CCC#CCC#Cc2ccccc2)oc1=O
InChIInChI=1S/C17H11NO5/c19-16-17(20)23-18(22-16)21-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,3-4,14H2
InChIKeyOHWAPXVXZICHKT-UHFFFAOYSA-N
MW309.28 g/mol
LogP0.66
Rot. Bonds2

About 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione

2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione (PubChem CID 19374775) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione.

Molecular Properties

Compound Name2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione
PubChem CID19374775
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione
SMILESO=c1on(OCC#CCC#CCC#Cc2ccccc2)oc1=O
InChIInChI=1S/C17H11NO5/c19-16-17(20)23-18(22-16)21-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,3-4,14H2
InChIKeyOHWAPXVXZICHKT-UHFFFAOYSA-N
XLogP0.66
TPSA74.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-amino-5-phenylpent-4-ynoic acid
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CID 808056
trimethyl(5-phenylpent-1-en-4-yn-2-yl)silane
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3-phenylprop-2-ynyl 2-ethenoxyacetate
CID 20688866
2-(1,3-dioxoisoindol-2-yl)-5-phenylpent-4-ynoic acid
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2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
7-phenylhept-6-yn-2-one
CID 11084575

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione?
The IUPAC name of 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione (CID 19374775) is 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione.
What is the SMILES notation for 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione?
The canonical SMILES for 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione is O=c1on(OCC#CCC#CCC#Cc2ccccc2)oc1=O.
What is the InChIKey of 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione?
The InChIKey is OHWAPXVXZICHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-16-17(20)23-18(22-16)21-14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,3-4,14H2.
What are the key properties of 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione?
2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione has a molecular weight of 309.28 g/mol, XLogP of 0.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylnona-2,5,8-triynoxy)-1,3,2-dioxazolidine-4,5-dione is sourced from PubChem (CID 19374775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).