(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide

C23H32O2P2 — CID 59887539

About (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide

(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide (PubChem CID 59887539) has the molecular formula C23H32O2P2 and a molecular weight of 402.46 g/mol. Its IUPAC name is (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide.

Molecular Properties

• Compound Name: (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
• PubChem CID: 59887539
• Molecular Formula: C23H32O2P2
• Molecular Weight: 402.46 g/mol
• Exact Mass: 402.19
• IUPAC Name: (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide
• SMILES: CC1=C(C)P2(=O)C3=C(C(C)(C)C4=C3P3(=O)C(C)=C(C)[C@]4(C)C3C)[C@@]1(C)C2C
• InChI: InChI=1S/C23H32O2P2/c1-11-13(3)26(24)15(5)22(11,9)19-17(26)18-20(21(19,7)8)23(10)12(2)14(4)27(18,25)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,26?,27?/m1/s1
• InChIKey: SHNAKYKIXOXQBT-QFMNYJCDSA-N
• XLogP: 7.69
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.46
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?

The IUPAC name of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide (CID 59887539) is (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide.

What is the SMILES notation for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?

The canonical SMILES for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide is CC1=C(C)P2(=O)C3=C(C(C)(C)C4=C3P3(=O)C(C)=C(C)[C@]4(C)C3C)[C@@]1(C)C2C.

What is the InChIKey of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?

The InChIKey is SHNAKYKIXOXQBT-QFMNYJCDSA-N. The full InChI is InChI=1S/C23H32O2P2/c1-11-13(3)26(24)15(5)22(11,9)19-17(26)18-20(21(19,7)8)23(10)12(2)14(4)27(18,25)16(23)6/h15-16H,1-10H3/t15?,16?,22-,23-,26?,27?/m1/s1.

What are the key properties of (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide?

(7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide has a molecular weight of 402.46 g/mol, XLogP of 7.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7S,11S)-5,6,7,9,9,11,12,13,14,15-decamethyl-1λ5,4λ5-diphosphapentacyclo[9.2.1.14,7.02,10.03,8]pentadeca-2(10),3(8),5,12-tetraene 1,4-dioxide is sourced from PubChem (CID 59887539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).