[(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate

C22H57O6P23 — CID 59904724

IUPAC[(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate
SMILESC=CCC[C@H](OC(=O)OC)[C@@]1(C)C[C@@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC(CC1=O)C2(C)C
InChIInChI=1S/C22H57O6P23/c1-7-8-9-18(26-20(24)25-6)22(5)12-16(28-42(44(30)31)50(41-29)46(34)35)19-13(2)15(10-14(11-17(22)23)21(19,3)4)27-43(49(40)45(32)33)51(47(36)37)48(38)39/h7,14-16,18,41H,1,8-12,29-40H2,2-6H3/t14?,15-,16+,18-,22-,42?,43?,49?,50?/m0/s1
InChIKeyIJDTTYIKBDOXKG-WEICOPKESA-N
MW1130.09 g/mol
LogP17.65
Rot. Bonds18

About [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate

[(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate (PubChem CID 59904724) has the molecular formula C22H57O6P23 and a molecular weight of 1130.09 g/mol. Its IUPAC name is [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate.

Molecular Properties

Compound Name[(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate
PubChem CID59904724
Molecular FormulaC22H57O6P23
Molecular Weight1130.09 g/mol
Exact Mass1129.81
IUPAC Name[(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate
SMILESC=CCC[C@H](OC(=O)OC)[C@@]1(C)C[C@@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC(CC1=O)C2(C)C
InChIInChI=1S/C22H57O6P23/c1-7-8-9-18(26-20(24)25-6)22(5)12-16(28-42(44(30)31)50(41-29)46(34)35)19-13(2)15(10-14(11-17(22)23)21(19,3)4)27-43(49(40)45(32)33)51(47(36)37)48(38)39/h7,14-16,18,41H,1,8-12,29-40H2,2-6H3/t14?,15-,16+,18-,22-,42?,43?,49?,50?/m0/s1
InChIKeyIJDTTYIKBDOXKG-WEICOPKESA-N
XLogP17.65
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.09
LogP ≤ 517.65
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 [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?
The IUPAC name of [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate (CID 59904724) is [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate.
What is the SMILES notation for [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?
The canonical SMILES for [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate is C=CCC[C@H](OC(=O)OC)[C@@]1(C)C[C@@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC(CC1=O)C2(C)C.
What is the InChIKey of [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?
The InChIKey is IJDTTYIKBDOXKG-WEICOPKESA-N. The full InChI is InChI=1S/C22H57O6P23/c1-7-8-9-18(26-20(24)25-6)22(5)12-16(28-42(44(30)31)50(41-29)46(34)35)19-13(2)15(10-14(11-17(22)23)21(19,3)4)27-43(49(40)45(32)33)51(47(36)37)48(38)39/h7,14-16,18,41H,1,8-12,29-40H2,2-6H3/t14?,15-,16+,18-,22-,42?,43?,49?,50?/m0/s1.
What are the key properties of [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate?
[(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate has a molecular weight of 1130.09 g/mol, XLogP of 17.65, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(2R,4R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-4,10,11,11-tetramethyl-5-oxo-4-bicyclo[5.3.1]undec-1(10)-enyl]pent-4-enyl] methyl carbonate is sourced from PubChem (CID 59904724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).