9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one

C14H47O4P25 — CID 22967285

IUPAC9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)CCC(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C14H47O4P25/c1-7-11(18-35(41(31)37(23)24)43(39(27)28)40(29)30)6-8-13(16-32-19)9(15)4-5-10(12(7)14(8,2)3)17-34(36(21)22)42(33-20)38(25)26/h8,10-11,13,32-33H,4-6,19-31H2,1-3H3
InChIKeyWNLQEKNJIOSSNF-UHFFFAOYSA-N
MW1053.88 g/mol
LogP16.29
Rot. Bonds15

About 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one

9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one (PubChem CID 22967285) has the molecular formula C14H47O4P25 and a molecular weight of 1053.88 g/mol. Its IUPAC name is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one.

Molecular Properties

Compound Name9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one
PubChem CID22967285
Molecular FormulaC14H47O4P25
Molecular Weight1053.88 g/mol
Exact Mass1053.69
IUPAC Name9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)CCC(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C14H47O4P25/c1-7-11(18-35(41(31)37(23)24)43(39(27)28)40(29)30)6-8-13(16-32-19)9(15)4-5-10(12(7)14(8,2)3)17-34(36(21)22)42(33-20)38(25)26/h8,10-11,13,32-33H,4-6,19-31H2,1-3H3
InChIKeyWNLQEKNJIOSSNF-UHFFFAOYSA-N
XLogP16.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.88
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one?
The IUPAC name of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one (CID 22967285) is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one.
What is the SMILES notation for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one?
The canonical SMILES for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one is CC1=C2C(OP(P(P)P)P(PP)P(P)P)CCC(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.
What is the InChIKey of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one?
The InChIKey is WNLQEKNJIOSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H47O4P25/c1-7-11(18-35(41(31)37(23)24)43(39(27)28)40(29)30)6-8-13(16-32-19)9(15)4-5-10(12(7)14(8,2)3)17-34(36(21)22)42(33-20)38(25)26/h8,10-11,13,32-33H,4-6,19-31H2,1-3H3.
What are the key properties of 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one?
9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 1053.88 g/mol, XLogP of 16.29, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 22967285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).