dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one

C50H67F2O10P — CID 162082765

IUPACdimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one
SMILESCPC.Cc1cc(C)c2c(c1)/C=C/CC1OC(C)(C)OC1C(=O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O.Cc1cc(C)c2c(c1)/C=C/C[C@@H]1OC(C)(C)OC1C(O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O
InChIInChI=1S/C24H31FO5.C24H29FO5.C2H7P/c2*1-13-10-15(3)20-17(11-13)8-7-9-19-22(30-24(5,6)29-19)21(26)18(25)12-14(2)16(4)28-23(20)27;1-3-2/h7-8,10-12,14,16,19,21-22,26H,9H2,1-6H3;7-8,10-12,14,16,19,22H,9H2,1-6H3;3H,1-2H3/b2*8-7+,18-12+;/t14-,16+,19+,21?,22?;14-,16+,19?,22?;/m11./s1
InChIKeyZCOBXVJODVJTPR-GPPSJIRPSA-N
MW897.05 g/mol
LogP10.40
Rot. Bonds

About dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one

dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one (PubChem CID 162082765) has the molecular formula C50H67F2O10P and a molecular weight of 897.05 g/mol. Its IUPAC name is dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one.

Molecular Properties

Compound Namedimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one
PubChem CID162082765
Molecular FormulaC50H67F2O10P
Molecular Weight897.05 g/mol
Exact Mass896.44
IUPAC Namedimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one
SMILESCPC.Cc1cc(C)c2c(c1)/C=C/CC1OC(C)(C)OC1C(=O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O.Cc1cc(C)c2c(c1)/C=C/C[C@@H]1OC(C)(C)OC1C(O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O
InChIInChI=1S/C24H31FO5.C24H29FO5.C2H7P/c2*1-13-10-15(3)20-17(11-13)8-7-9-19-22(30-24(5,6)29-19)21(26)18(25)12-14(2)16(4)28-23(20)27;1-3-2/h7-8,10-12,14,16,19,21-22,26H,9H2,1-6H3;7-8,10-12,14,16,19,22H,9H2,1-6H3;3H,1-2H3/b2*8-7+,18-12+;/t14-,16+,19+,21?,22?;14-,16+,19?,22?;/m11./s1
InChIKeyZCOBXVJODVJTPR-GPPSJIRPSA-N
XLogP10.40
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.05
LogP ≤ 510.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one?
The IUPAC name of dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one (CID 162082765) is dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one.
What is the SMILES notation for dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one?
The canonical SMILES for dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one is CPC.Cc1cc(C)c2c(c1)/C=C/CC1OC(C)(C)OC1C(=O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O.Cc1cc(C)c2c(c1)/C=C/C[C@@H]1OC(C)(C)OC1C(O)/C(F)=C\[C@@H](C)[C@H](C)OC2=O.
What is the InChIKey of dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one?
The InChIKey is ZCOBXVJODVJTPR-GPPSJIRPSA-N. The full InChI is InChI=1S/C24H31FO5.C24H29FO5.C2H7P/c2*1-13-10-15(3)20-17(11-13)8-7-9-19-22(30-24(5,6)29-19)21(26)18(25)12-14(2)16(4)28-23(20)27;1-3-2/h7-8,10-12,14,16,19,21-22,26H,9H2,1-6H3;7-8,10-12,14,16,19,22H,9H2,1-6H3;3H,1-2H3/b2*8-7+,18-12+;/t14-,16+,19+,21?,22?;14-,16+,19?,22?;/m11./s1.
What are the key properties of dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one?
dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one has a molecular weight of 897.05 g/mol, XLogP of 10.40, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylphosphane;(2E,11E,13R,14S)-11-fluoro-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(2E,5S,11E,13R,14S)-11-fluoro-10-hydroxy-7,7,13,14,18,20-hexamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaen-16-one is sourced from PubChem (CID 162082765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).