9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one

C14H56O5P34 — CID 22967283

IUPAC9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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)C(OP(P(P)P)P(P)P(P)P)CC(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C14H56O5P34/c1-6-9(17-42(51(37)46(28)29)53(48(32)33)49(34)35)4-7-12(16-38-20)8(15)5-10(18-40(43(22)23)50(36)45(26)27)13(11(6)14(7,2)3)19-41(44(24)25)52(39-21)47(30)31/h7,9-10,12-13,38-39H,4-5,20-37H2,1-3H3
InChIKeyNPJITSZSUQWSSZ-UHFFFAOYSA-N
MW1357.71 g/mol
LogP20.83
Rot. Bonds20

About 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one (PubChem CID 22967283) has the molecular formula C14H56O5P34 and a molecular weight of 1357.71 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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one
PubChem CID22967283
Molecular FormulaC14H56O5P34
Molecular Weight1357.71 g/mol
Exact Mass1357.52
IUPAC Name9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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)C(OP(P(P)P)P(P)P(P)P)CC(=O)C(OPP)C(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C14H56O5P34/c1-6-9(17-42(51(37)46(28)29)53(48(32)33)49(34)35)4-7-12(16-38-20)8(15)5-10(18-40(43(22)23)50(36)45(26)27)13(11(6)14(7,2)3)19-41(44(24)25)52(39-21)47(30)31/h7,9-10,12-13,38-39H,4-5,20-37H2,1-3H3
InChIKeyNPJITSZSUQWSSZ-UHFFFAOYSA-N
XLogP20.83
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001357.71
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one (CID 22967283) is 9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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)C(OP(P(P)P)P(P)P(P)P)CC(=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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one?
The InChIKey is NPJITSZSUQWSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H56O5P34/c1-6-9(17-42(51(37)46(28)29)53(48(32)33)49(34)35)4-7-12(16-38-20)8(15)5-10(18-40(43(22)23)50(36)45(26)27)13(11(6)14(7,2)3)19-41(44(24)25)52(39-21)47(30)31/h7,9-10,12-13,38-39H,4-5,20-37H2,1-3H3.
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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one has a molecular weight of 1357.71 g/mol, XLogP of 20.83, 20 rotatable bonds, 0 hydrogen bond donors, and 5 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-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-8,11,11-trimethylbicyclo[5.3.1]undec-7-en-3-one is sourced from PubChem (CID 22967283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).