(8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione

C21H53O6P23 — CID 59965761

About (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione

(8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione (PubChem CID 59965761) has the molecular formula C21H53O6P23 and a molecular weight of 1114.05 g/mol. Its IUPAC name is (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione.

Molecular Properties

• Compound Name: (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
• PubChem CID: 59965761
• Molecular Formula: C21H53O6P23
• Molecular Weight: 1114.05 g/mol
• Exact Mass: 1113.78
• IUPAC Name: (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
• SMILES: C=CCCC1OC(=O)OC2C(=O)C3CC(OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C(C(OP(P(P)P)P(PP)P(P)P)C[C@]12C)C3(C)C
• InChI: InChI=1S/C21H53O6P23/c1-6-7-8-15-21(5)10-14(27-41(43(29)30)49(40-28)45(33)34)16-11(2)13(26-42(48(39)44(31)32)50(46(35)36)47(37)38)9-12(20(16,3)4)17(22)18(21)25-19(23)24-15/h6,12-15,18,40H,1,7-10,28-39H2,2-5H3/t12?,13?,14?,15?,18?,21-,41?,42?,48?,49?/m1/s1
• InChIKey: CDGHLSMSAIIKIT-FGSIUGEGSA-N
• XLogP: 17.01
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1114.05
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?

The IUPAC name of (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione (CID 59965761) is (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione.

What is the SMILES notation for (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?

The canonical SMILES for (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione is C=CCCC1OC(=O)OC2C(=O)C3CC(OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C(C(OP(P(P)P)P(PP)P(P)P)C[C@]12C)C3(C)C.

What is the InChIKey of (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?

The InChIKey is CDGHLSMSAIIKIT-FGSIUGEGSA-N. The full InChI is InChI=1S/C21H53O6P23/c1-6-7-8-15-21(5)10-14(27-41(43(29)30)49(40-28)45(33)34)16-11(2)13(26-42(48(39)44(31)32)50(46(35)36)47(37)38)9-12(20(16,3)4)17(22)18(21)25-19(23)24-15/h6,12-15,18,40H,1,7-10,28-39H2,2-5H3/t12?,13?,14?,15?,18?,21-,41?,42?,48?,49?/m1/s1.

What are the key properties of (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?

(8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione has a molecular weight of 1114.05 g/mol, XLogP of 17.01, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-7-but-3-enyl-8,12,15,15-tetramethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione is sourced from PubChem (CID 59965761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).