8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide

C18H9O4P — CID 15782315

IUPAC8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
SMILESO=P12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4
InChIInChI=1S/C18H9O4P/c19-23-16-10-4-1-5-11(16)21-13-7-3-9-15(18(13)23)22-14-8-2-6-12(20-10)17(14)23/h1-9H
InChIKeyFLYHORNXKUJASF-UHFFFAOYSA-N
MW320.24 g/mol
LogP3.64
Rot. Bonds

About 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide

8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide (PubChem CID 15782315) has the molecular formula C18H9O4P and a molecular weight of 320.24 g/mol. Its IUPAC name is 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide.

Molecular Properties

Compound Name8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
PubChem CID15782315
Molecular FormulaC18H9O4P
Molecular Weight320.24 g/mol
Exact Mass320.02
IUPAC Name8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide
SMILESO=P12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4
InChIInChI=1S/C18H9O4P/c19-23-16-10-4-1-5-11(16)21-13-7-3-9-15(18(13)23)22-14-8-2-6-12(20-10)17(14)23/h1-9H
InChIKeyFLYHORNXKUJASF-UHFFFAOYSA-N
XLogP3.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
The IUPAC name of 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide (CID 15782315) is 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide.
What is the SMILES notation for 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
The canonical SMILES for 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide is O=P12c3c4cccc3Oc3cccc(c31)Oc1cccc(c12)O4.
What is the InChIKey of 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
The InChIKey is FLYHORNXKUJASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9O4P/c19-23-16-10-4-1-5-11(16)21-13-7-3-9-15(18(13)23)22-14-8-2-6-12(20-10)17(14)23/h1-9H.
What are the key properties of 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide?
8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide has a molecular weight of 320.24 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,14,22-trioxa-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene 1-oxide is sourced from PubChem (CID 15782315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).