dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate

C42H52K2O14P2 — CID 11388954

IUPACdipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate
SMILESCOCCOc1c2cccc1Cc1cc(P(=O)([O-])OC)cc(c1OCCOC)Cc1cccc(c1OCCOC)Cc1cc(P(=O)([O-])OC)cc(c1OCCOC)C2.[K+].[K+]
InChIInChI=1S/C42H54O14P2.2K/c1-47-13-17-53-39-29-9-7-10-30(39)22-34-26-38(58(45,46)52-6)28-36(42(34)56-20-16-50-4)24-32-12-8-11-31(40(32)54-18-14-48-2)23-35-27-37(57(43,44)51-5)25-33(21-29)41(35)55-19-15-49-3;;/h7-12,25-28H,13-24H2,1-6H3,(H,43,44)(H,45,46);;/q;2*+1/p-2
InChIKeyIVDAZSMRFFBNQX-UHFFFAOYSA-L
MW921.01 g/mol
LogP-1.88
Rot. Bonds20

About dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate

dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate (PubChem CID 11388954) has the molecular formula C42H52K2O14P2 and a molecular weight of 921.01 g/mol. Its IUPAC name is dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate.

Molecular Properties

Compound Namedipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate
PubChem CID11388954
Molecular FormulaC42H52K2O14P2
Molecular Weight921.01 g/mol
Exact Mass920.21
IUPAC Namedipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate
SMILESCOCCOc1c2cccc1Cc1cc(P(=O)([O-])OC)cc(c1OCCOC)Cc1cccc(c1OCCOC)Cc1cc(P(=O)([O-])OC)cc(c1OCCOC)C2.[K+].[K+]
InChIInChI=1S/C42H54O14P2.2K/c1-47-13-17-53-39-29-9-7-10-30(39)22-34-26-38(58(45,46)52-6)28-36(42(34)56-20-16-50-4)24-32-12-8-11-31(40(32)54-18-14-48-2)23-35-27-37(57(43,44)51-5)25-33(21-29)41(35)55-19-15-49-3;;/h7-12,25-28H,13-24H2,1-6H3,(H,43,44)(H,45,46);;/q;2*+1/p-2
InChIKeyIVDAZSMRFFBNQX-UHFFFAOYSA-L
XLogP-1.88
TPSA172.56 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.01
LogP ≤ 5-1.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate with MolForge

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Related Compounds

tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate
CID 102210237
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis(2-methoxyethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
CID 13496654
43,44,45,46,47,48,49-heptakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene
CID 51034062
25,26,27,28-tetrakis(2-diphenylphosphorylethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 100934557
25,26,27,28-tetrakis(2-ethoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 10484972
diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
CID 15523207
[hydroxy-[17-[hydroxy(phosphono)methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]phosphonic acid
CID 71662220
potassium methoxy(phenyl)phosphinate
CID 141246459
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
CID 11115957
1-[25,26,27,28-tetrakis(2-ethoxyethoxy)-17-prop-2-ynoyl-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]prop-2-yn-1-one
CID 11007337
(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methanol
CID 101010259
5,17-diisocyano-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
CID 101365936

Frequently Asked Questions

What is the IUPAC name of dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate?
The IUPAC name of dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate (CID 11388954) is dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate.
What is the SMILES notation for dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate?
The canonical SMILES for dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate is COCCOc1c2cccc1Cc1cc(P(=O)([O-])OC)cc(c1OCCOC)Cc1cccc(c1OCCOC)Cc1cc(P(=O)([O-])OC)cc(c1OCCOC)C2.[K+].[K+].
What is the InChIKey of dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate?
The InChIKey is IVDAZSMRFFBNQX-UHFFFAOYSA-L. The full InChI is InChI=1S/C42H54O14P2.2K/c1-47-13-17-53-39-29-9-7-10-30(39)22-34-26-38(58(45,46)52-6)28-36(42(34)56-20-16-50-4)24-32-12-8-11-31(40(32)54-18-14-48-2)23-35-27-37(57(43,44)51-5)25-33(21-29)41(35)55-19-15-49-3;;/h7-12,25-28H,13-24H2,1-6H3,(H,43,44)(H,45,46);;/q;2*+1/p-2.
What are the key properties of dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate?
dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate has a molecular weight of 921.01 g/mol, XLogP of -1.88, 20 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate is sourced from PubChem (CID 11388954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).