10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide

C26H15O3P — CID 118219669

About 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide

10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide (PubChem CID 118219669) has the molecular formula C26H15O3P and a molecular weight of 406.38 g/mol. Its IUPAC name is 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide.

Molecular Properties

• Compound Name: 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide
• PubChem CID: 118219669
• Molecular Formula: C26H15O3P
• Molecular Weight: 406.38 g/mol
• Exact Mass: 406.08
• IUPAC Name: 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide
• SMILES: O=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1c2ccc2ccccc12
• InChI: InChI=1S/C26H15O3P/c27-30-22-12-6-5-11-20(22)28-21-15-17-8-2-4-10-19(17)25(26(21)30)29-24-18-9-3-1-7-16(18)13-14-23(24)30/h1-15H
• InChIKey: NJQIAMLMOQYFCQ-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.38
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide?

The IUPAC name of 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide (CID 118219669) is 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide.

What is the SMILES notation for 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide?

The canonical SMILES for 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide is O=P12c3ccccc3Oc3cc4ccccc4c(c31)Oc1c2ccc2ccccc12.

What is the InChIKey of 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide?

The InChIKey is NJQIAMLMOQYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15O3P/c27-30-22-12-6-5-11-20(22)28-21-15-17-8-2-4-10-19(17)25(26(21)30)29-24-18-9-3-1-7-16(18)13-14-23(24)30/h1-15H.

What are the key properties of 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide?

10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide has a molecular weight of 406.38 g/mol, XLogP of 5.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,28-dioxa-17λ5-phosphaheptacyclo[15.11.1.02,7.09,29.011,16.018,27.021,26]nonacosa-1(29),2,4,6,8,11,13,15,18(27),19,21,23,25-tridecaene 17-oxide is sourced from PubChem (CID 118219669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).