[3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)

C57H108O26P24V12 — CID 161280321

IUPAC[3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)
SMILESC.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.O=C(OCC(COCC(COC(=O)C(CPP)PP)(COC(=O)C(CPP)PP)COC(=O)C(CPP)PP)(COC(=O)C(CPP)PP)COC(=O)C(CPP)PP)C(CPP)PP.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChIInChI=1S/C28H70O13P24.C28H34O13.CH4.12V/c29-21(15(60-48)1-54-42)36-9-27(10-37-22(30)16(61-49)2-55-43,11-38-23(31)17(62-50)3-56-44)7-35-8-28(12-39-24(32)18(63-51)4-57-45,13-40-25(33)19(64-52)5-58-46)14-41-26(34)20(65-53)6-59-47;1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6;;;;;;;;;;;;;/h15-20,54-65H,1-14,42-53H2;7-12H,1-6,13-20H2;1H4;;;;;;;;;;;;
InChIKeyOKTIYFFYFQUDTI-UHFFFAOYSA-N
MW2564.17 g/mol
LogP10.03
Rot. Bonds62

About [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)

[3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium) (PubChem CID 161280321) has the molecular formula C57H108O26P24V12 and a molecular weight of 2564.17 g/mol. Its IUPAC name is [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium).

Molecular Properties

Compound Name[3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)
PubChem CID161280321
Molecular FormulaC57H108O26P24V12
Molecular Weight2564.17 g/mol
Exact Mass2563.41
IUPAC Name[3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)
SMILESC.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.O=C(OCC(COCC(COC(=O)C(CPP)PP)(COC(=O)C(CPP)PP)COC(=O)C(CPP)PP)(COC(=O)C(CPP)PP)COC(=O)C(CPP)PP)C(CPP)PP.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V]
InChIInChI=1S/C28H70O13P24.C28H34O13.CH4.12V/c29-21(15(60-48)1-54-42)36-9-27(10-37-22(30)16(61-49)2-55-43,11-38-23(31)17(62-50)3-56-44)7-35-8-28(12-39-24(32)18(63-51)4-57-45,13-40-25(33)19(64-52)5-58-46)14-41-26(34)20(65-53)6-59-47;1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6;;;;;;;;;;;;;/h15-20,54-65H,1-14,42-53H2;7-12H,1-6,13-20H2;1H4;;;;;;;;;;;;
InChIKeyOKTIYFFYFQUDTI-UHFFFAOYSA-N
XLogP10.03
TPSA334.06 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds62
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002564.17
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium) with MolForge

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Related Compounds

boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
[2,2-bis(prop-2-enoxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 155625651
[2-(formyloxymethyl)-3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate
CID 89368794
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
CID 59702805
[2-[[2-(2-oxobut-3-enoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)-3-[2-[2-[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]ethoxy]ethoxy]propyl] prop-2-enoate
CID 170037263
2-[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl]butanedioic acid
CID 118236025
1,6-diisocyanatohexane;[3-prop-2-enoyloxy-2,2-bis[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]propyl] prop-2-enoate
CID 159664397
[2-[[2-(methoxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 146342682
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135
[2-[[2-[6-[2,2-bis[6-[[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propoxy]carbonylamino]hexylcarbamoyloxymethyl]butoxycarbonylamino]hexylcarbamoyloxymethyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]methyl]-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 170013040
3-[3-(3-prop-2-enoyloxypropoxy)-2,2-bis(3-prop-2-enoyloxypropoxymethyl)propoxy]propyl prop-2-enoate
CID 123594906

Frequently Asked Questions

What is the IUPAC name of [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)?
The IUPAC name of [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium) (CID 161280321) is [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium).
What is the SMILES notation for [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)?
The canonical SMILES for [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium) is C.C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C.O=C(OCC(COCC(COC(=O)C(CPP)PP)(COC(=O)C(CPP)PP)COC(=O)C(CPP)PP)(COC(=O)C(CPP)PP)COC(=O)C(CPP)PP)C(CPP)PP.[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].[V].
What is the InChIKey of [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)?
The InChIKey is OKTIYFFYFQUDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H70O13P24.C28H34O13.CH4.12V/c29-21(15(60-48)1-54-42)36-9-27(10-37-22(30)16(61-49)2-55-43,11-38-23(31)17(62-50)3-56-44)7-35-8-28(12-39-24(32)18(63-51)4-57-45,13-40-25(33)19(64-52)5-58-46)14-41-26(34)20(65-53)6-59-47;1-7-21(29)36-15-27(16-37-22(30)8-2,17-38-23(31)9-3)13-35-14-28(18-39-24(32)10-4,19-40-25(33)11-5)20-41-26(34)12-6;;;;;;;;;;;;;/h15-20,54-65H,1-14,42-53H2;7-12H,1-6,13-20H2;1H4;;;;;;;;;;;;.
What are the key properties of [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium)?
[3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium) has a molecular weight of 2564.17 g/mol, XLogP of 10.03, 62 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2,3-bis(diphosphanyl)propanoyloxy]-2-[[3-[2,3-bis(diphosphanyl)propanoyloxy]-2,2-bis[2,3-bis(diphosphanyl)propanoyloxymethyl]propoxy]methyl]-2-[2,3-bis(diphosphanyl)propanoyloxymethyl]propyl] 2,3-bis(diphosphanyl)propanoate;methane;[3-prop-2-enoyloxy-2-[[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propoxy]methyl]-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate;dodecakis(vanadium) is sourced from PubChem (CID 161280321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).