8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

C18H9OPS2 — CID 122373122

IUPAC8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
SMILESc1cc2c3c(c1)Sc1cccc4c1P3c1c(cccc1S4)O2
InChIInChI=1S/C18H9OPS2/c1-4-10-16-12(6-1)21-14-8-3-9-15-18(14)20(16)17-11(19-10)5-2-7-13(17)22-15/h1-9H
InChIKeyULEDKCDBJICWIJ-UHFFFAOYSA-N
MW336.38 g/mol
LogP4.48
Rot. Bonds

About 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene

8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (PubChem CID 122373122) has the molecular formula C18H9OPS2 and a molecular weight of 336.38 g/mol. Its IUPAC name is 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
PubChem CID122373122
Molecular FormulaC18H9OPS2
Molecular Weight336.38 g/mol
Exact Mass335.98
IUPAC Name8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene
SMILESc1cc2c3c(c1)Sc1cccc4c1P3c1c(cccc1S4)O2
InChIInChI=1S/C18H9OPS2/c1-4-10-16-12(6-1)21-14-8-3-9-15-18(14)20(16)17-11(19-10)5-2-7-13(17)22-15/h1-9H
InChIKeyULEDKCDBJICWIJ-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene (CID 122373122) is 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is c1cc2c3c(c1)Sc1cccc4c1P3c1c(cccc1S4)O2.
What is the InChIKey of 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
The InChIKey is ULEDKCDBJICWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9OPS2/c1-4-10-16-12(6-1)21-14-8-3-9-15-18(14)20(16)17-11(19-10)5-2-7-13(17)22-15/h1-9H.
What are the key properties of 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene?
8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene has a molecular weight of 336.38 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-14,22-dithia-1-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 122373122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).