11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one

C23H37O3P3 — CID 90985797

IUPAC11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one
SMILESCCC=CCC(C=CC=CC=CC(CC=CCC=CCCC(C)=O)OPP)OP
InChIInChI=1S/C23H37O3P3/c1-3-4-11-17-22(25-27)18-13-9-10-15-20-23(26-29-28)19-14-8-6-5-7-12-16-21(2)24/h4-5,7-11,13-15,18,20,22-23,29H,3,6,12,16-17,19,27-28H2,1-2H3
InChIKeyVWBJKVMGKVHRTN-UHFFFAOYSA-N
MW454.47 g/mol
LogP7.22
Rot. Bonds17

About 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one

11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one (PubChem CID 90985797) has the molecular formula C23H37O3P3 and a molecular weight of 454.47 g/mol. Its IUPAC name is 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one.

Molecular Properties

Compound Name11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one
PubChem CID90985797
Molecular FormulaC23H37O3P3
Molecular Weight454.47 g/mol
Exact Mass454.20
IUPAC Name11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one
SMILESCCC=CCC(C=CC=CC=CC(CC=CCC=CCCC(C)=O)OPP)OP
InChIInChI=1S/C23H37O3P3/c1-3-4-11-17-22(25-27)18-13-9-10-15-20-23(26-29-28)19-14-8-6-5-7-12-16-21(2)24/h4-5,7-11,13-15,18,20,22-23,29H,3,6,12,16-17,19,27-28H2,1-2H3
InChIKeyVWBJKVMGKVHRTN-UHFFFAOYSA-N
XLogP7.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.47
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E,8E,12E,14E,20E)-11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,20-pentaen-16-yn-2-one
CID 88947855
(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-dihydroperoxydocosa-4,8,10,12,16,19-hexaenoate
CID 146681086
(4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate
CID 122391315
(1-deca-4,7-dienyl-8-phosphanyloxytetradeca-2,4,6-trienoxy)-phosphanylphosphane
CID 162284336
(5Z,8Z,11E)-tetradeca-5,8,11-trien-2-one
CID 91747987
14-hydroxy-7-methoxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123664442
benzyl (4Z,7Z,10Z,12Z,16Z,19Z)-14-phosphanyloxydocosa-4,7,10,12,16,19-hexaenoate
CID 170142435
(4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 131983349
phosphanyl(9-phosphanyloxydocosa-3,6,10,12,15-pentaen-2-yloxy)phosphane
CID 146899423
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857

Frequently Asked Questions

What is the IUPAC name of 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one?
The IUPAC name of 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one (CID 90985797) is 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one.
What is the SMILES notation for 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one?
The canonical SMILES for 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one is CCC=CCC(C=CC=CC=CC(CC=CCC=CCCC(C)=O)OPP)OP.
What is the InChIKey of 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one?
The InChIKey is VWBJKVMGKVHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37O3P3/c1-3-4-11-17-22(25-27)18-13-9-10-15-20-23(26-29-28)19-14-8-6-5-7-12-16-21(2)24/h4-5,7-11,13-15,18,20,22-23,29H,3,6,12,16-17,19,27-28H2,1-2H3.
What are the key properties of 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one?
11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one has a molecular weight of 454.47 g/mol, XLogP of 7.22, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(diphosphanyloxy)-18-phosphanyloxytricosa-5,8,12,14,16,20-hexaen-2-one is sourced from PubChem (CID 90985797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).