bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane

C62H114O11P18Si2 — CID 159787936

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane
SMILESC.C/C(=C\C=O)[C@H]1OC(=O)CC(O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)O[C@@H](c3ccccc3)O[C@H]2/C=C/[C@@H]1C.C=C/C=C(\C)[C@H]1OC(=O)CC(O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)O[C@@H](c3ccccc3)O[C@H]2/C=C/[C@@H]1C.PP(P)P(P(P)P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C31H46O5Si.C30H44O6Si.CH4.H20P18/c1-10-14-22(2)28-23(3)17-18-26-31(7,35-29(33-26)24-15-12-11-13-16-24)20-19-25(21-27(32)34-28)36-37(8,9)30(4,5)6;1-21-14-15-25-30(6,35-28(33-25)23-12-10-9-11-13-23)18-16-24(36-37(7,8)29(3,4)5)20-26(32)34-27(21)22(2)17-19-31;;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8/h10-18,23,25-26,28-29H,1,19-21H2,2-9H3;9-15,17,19,21,24-25,27-28H,16,18,20H2,1-8H3;1H4;1-10H2/b18-17+,22-14+;15-14+,22-17+;;/t23-,25?,26-,28+,29-,31+;21-,24?,25-,27-,28-,30+;;/m00../s1
InChIKeyNIEREDHWPDMZQE-UNTGONLCSA-N
MW1649.29 g/mol
LogP25.14
Rot. Bonds17

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane (PubChem CID 159787936) has the molecular formula C62H114O11P18Si2 and a molecular weight of 1649.29 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane
PubChem CID159787936
Molecular FormulaC62H114O11P18Si2
Molecular Weight1649.29 g/mol
Exact Mass1648.32
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane
SMILESC.C/C(=C\C=O)[C@H]1OC(=O)CC(O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)O[C@@H](c3ccccc3)O[C@H]2/C=C/[C@@H]1C.C=C/C=C(\C)[C@H]1OC(=O)CC(O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)O[C@@H](c3ccccc3)O[C@H]2/C=C/[C@@H]1C.PP(P)P(P(P)P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C31H46O5Si.C30H44O6Si.CH4.H20P18/c1-10-14-22(2)28-23(3)17-18-26-31(7,35-29(33-26)24-15-12-11-13-16-24)20-19-25(21-27(32)34-28)36-37(8,9)30(4,5)6;1-21-14-15-25-30(6,35-28(33-25)23-12-10-9-11-13-23)18-16-24(36-37(7,8)29(3,4)5)20-26(32)34-27(21)22(2)17-19-31;;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8/h10-18,23,25-26,28-29H,1,19-21H2,2-9H3;9-15,17,19,21,24-25,27-28H,16,18,20H2,1-8H3;1H4;1-10H2/b18-17+,22-14+;15-14+,22-17+;;/t23-,25?,26-,28+,29-,31+;21-,24?,25-,27-,28-,30+;;/m00../s1
InChIKeyNIEREDHWPDMZQE-UNTGONLCSA-N
XLogP25.14
TPSA125.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001649.29
LogP ≤ 525.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane (CID 159787936) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane is C.C/C(=C\C=O)[C@H]1OC(=O)CC(O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)O[C@@H](c3ccccc3)O[C@H]2/C=C/[C@@H]1C.C=C/C=C(\C)[C@H]1OC(=O)CC(O[Si](C)(C)C(C)(C)C)CC[C@@]2(C)O[C@@H](c3ccccc3)O[C@H]2/C=C/[C@@H]1C.PP(P)P(P(P)P)P(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane?
The InChIKey is NIEREDHWPDMZQE-UNTGONLCSA-N. The full InChI is InChI=1S/C31H46O5Si.C30H44O6Si.CH4.H20P18/c1-10-14-22(2)28-23(3)17-18-26-31(7,35-29(33-26)24-15-12-11-13-16-24)20-19-25(21-27(32)34-28)36-37(8,9)30(4,5)6;1-21-14-15-25-30(6,35-28(33-25)23-12-10-9-11-13-23)18-16-24(36-37(7,8)29(3,4)5)20-26(32)34-27(21)22(2)17-19-31;;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8/h10-18,23,25-26,28-29H,1,19-21H2,2-9H3;9-15,17,19,21,24-25,27-28H,16,18,20H2,1-8H3;1H4;1-10H2/b18-17+,22-14+;15-14+,22-17+;;/t23-,25?,26-,28+,29-,31+;21-,24?,25-,27-,28-,30+;;/m00../s1.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane has a molecular weight of 1649.29 g/mol, XLogP of 25.14, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;(E)-3-[(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-7-oxo-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-5-yl]but-2-enal;(1S,2E,4S,5S,12R,14S)-9-[tert-butyl(dimethyl)silyl]oxy-4,12-dimethyl-5-[(2E)-penta-2,4-dien-2-yl]-14-phenyl-6,13,15-trioxabicyclo[10.3.0]pentadec-2-en-7-one;methane is sourced from PubChem (CID 159787936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).