12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite

C22H17O5P — CID 67424043

IUPAC12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite
SMILESOP(O)OC1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1
InChIInChI=1S/C22H17O5P/c23-28(24)27-20-13-25-18-11-9-14-5-1-3-7-16(14)21(18)22-17-8-4-2-6-15(17)10-12-19(22)26-20/h1-12,20,23-24H,13H2
InChIKeyOSUGIJIYRNMPAM-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.99
Rot. Bonds2

About 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite

12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite (PubChem CID 67424043) has the molecular formula C22H17O5P and a molecular weight of 392.35 g/mol. Its IUPAC name is 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite.

Molecular Properties

Compound Name12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite
PubChem CID67424043
Molecular FormulaC22H17O5P
Molecular Weight392.35 g/mol
Exact Mass392.08
IUPAC Name12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite
SMILESOP(O)OC1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1
InChIInChI=1S/C22H17O5P/c23-28(24)27-20-13-25-18-11-9-14-5-1-3-7-16(14)21(18)22-17-8-4-2-6-15(17)10-12-19(22)26-20/h1-12,20,23-24H,13H2
InChIKeyOSUGIJIYRNMPAM-UHFFFAOYSA-N
XLogP4.99
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite?
The IUPAC name of 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite (CID 67424043) is 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite.
What is the SMILES notation for 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite?
The canonical SMILES for 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite is OP(O)OC1COc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1.
What is the InChIKey of 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite?
The InChIKey is OSUGIJIYRNMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17O5P/c23-28(24)27-20-13-25-18-11-9-14-5-1-3-7-16(14)21(18)22-17-8-4-2-6-15(17)10-12-19(22)26-20/h1-12,20,23-24H,13H2.
What are the key properties of 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite?
12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite has a molecular weight of 392.35 g/mol, XLogP of 4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12,15-dioxapentacyclo[14.8.0.02,11.03,8.019,24]tetracosa-1(16),2(11),3,5,7,9,17,19,21,23-decaen-13-yl dihydrogen phosphite is sourced from PubChem (CID 67424043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).