(8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione

C20H53O6P23 — CID 59965768

IUPAC(8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)C(C)[C@]3(C)C(C)OC(=O)OC3C(=O)C(C)(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H53O6P23/c1-9-12(25-41(47(38)43(30)31)49(45(34)35)46(36)37)8-19(6)15(21)16-20(7,11(3)23-17(22)24-16)10(2)14(13(9)18(19,4)5)26-40(42(28)29)48(39-27)44(32)33/h10-12,14,16,39H,8,27-38H2,1-7H3/t10?,11?,12?,14?,16?,19?,20-,40?,41?,47?,48?/m1/s1
InChIKeyJDNHGJYTEZEPNX-FOTWGNOTSA-N
MW1102.04 g/mol
LogP16.70
Rot. Bonds13

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-1,7,8,9,12,15,15-heptamethyl-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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione (PubChem CID 59965768) has the molecular formula C20H53O6P23 and a molecular weight of 1102.04 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-1,7,8,9,12,15,15-heptamethyl-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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
PubChem CID59965768
Molecular FormulaC20H53O6P23
Molecular Weight1102.04 g/mol
Exact Mass1101.78
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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)C(C)[C@]3(C)C(C)OC(=O)OC3C(=O)C(C)(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H53O6P23/c1-9-12(25-41(47(38)43(30)31)49(45(34)35)46(36)37)8-19(6)15(21)16-20(7,11(3)23-17(22)24-16)10(2)14(13(9)18(19,4)5)26-40(42(28)29)48(39-27)44(32)33/h10-12,14,16,39H,8,27-38H2,1-7H3/t10?,11?,12?,14?,16?,19?,20-,40?,41?,47?,48?/m1/s1
InChIKeyJDNHGJYTEZEPNX-FOTWGNOTSA-N
XLogP16.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001102.04
LogP ≤ 516.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (8R)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione with MolForge

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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-1,7,8,9,12,15,15-heptamethyl-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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione (CID 59965768) 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-1,7,8,9,12,15,15-heptamethyl-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-1,7,8,9,12,15,15-heptamethyl-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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione is CC1=C2C(OP(P(P)P)P(PP)P(P)P)C(C)[C@]3(C)C(C)OC(=O)OC3C(=O)C(C)(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione?
The InChIKey is JDNHGJYTEZEPNX-FOTWGNOTSA-N. The full InChI is InChI=1S/C20H53O6P23/c1-9-12(25-41(47(38)43(30)31)49(45(34)35)46(36)37)8-19(6)15(21)16-20(7,11(3)23-17(22)24-16)10(2)14(13(9)18(19,4)5)26-40(42(28)29)48(39-27)44(32)33/h10-12,14,16,39H,8,27-38H2,1-7H3/t10?,11?,12?,14?,16?,19?,20-,40?,41?,47?,48?/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-1,7,8,9,12,15,15-heptamethyl-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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione has a molecular weight of 1102.04 g/mol, XLogP of 16.70, 13 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-1,7,8,9,12,15,15-heptamethyl-4,6-dioxatricyclo[9.3.1.03,8]pentadec-11-ene-2,5-dione is sourced from PubChem (CID 59965768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).