carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide

C18H38O12P2 — CID 160914633

IUPACcarbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
SMILESC=C(C)C(=O)OCCOP(C)(=O)[O-].C=C(C)C(=O)OCCOP(C)(=O)[O-].[CH3+].[CH3+].[CH3+].[CH3+].[OH-].[OH-]
InChIInChI=1S/2C7H13O5P.4CH3.2H2O/c2*1-6(2)7(8)11-4-5-12-13(3,9)10;;;;;;/h2*1,4-5H2,2-3H3,(H,9,10);4*1H3;2*1H2/q;;4*+1;;/p-4
InChIKeyHMHYIBUIVRPUKH-UHFFFAOYSA-J
MW508.44 g/mol
LogP2.06
Rot. Bonds10

About carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide

carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide (PubChem CID 160914633) has the molecular formula C18H38O12P2 and a molecular weight of 508.44 g/mol. Its IUPAC name is carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide.

Molecular Properties

Compound Namecarbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
PubChem CID160914633
Molecular FormulaC18H38O12P2
Molecular Weight508.44 g/mol
Exact Mass508.18
IUPAC Namecarbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
SMILESC=C(C)C(=O)OCCOP(C)(=O)[O-].C=C(C)C(=O)OCCOP(C)(=O)[O-].[CH3+].[CH3+].[CH3+].[CH3+].[OH-].[OH-]
InChIInChI=1S/2C7H13O5P.4CH3.2H2O/c2*1-6(2)7(8)11-4-5-12-13(3,9)10;;;;;;/h2*1,4-5H2,2-3H3,(H,9,10);4*1H3;2*1H2/q;;4*+1;;/p-4
InChIKeyHMHYIBUIVRPUKH-UHFFFAOYSA-J
XLogP2.06
TPSA211.32 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
magnesium bis(bis[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl] phosphate)
CID 122612579
sodium 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl hydrogen phosphate
CID 122613092
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
potassium bis[4-(2-methylprop-2-enoyloxy)butyl] phosphate
CID 122611569
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
calcium 6-(2-methylprop-2-enoyloxy)hexyl phosphate
CID 122612776
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
CID 87608005

Frequently Asked Questions

What is the IUPAC name of carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide?
The IUPAC name of carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide (CID 160914633) is carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide.
What is the SMILES notation for carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide?
The canonical SMILES for carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide is C=C(C)C(=O)OCCOP(C)(=O)[O-].C=C(C)C(=O)OCCOP(C)(=O)[O-].[CH3+].[CH3+].[CH3+].[CH3+].[OH-].[OH-].
What is the InChIKey of carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide?
The InChIKey is HMHYIBUIVRPUKH-UHFFFAOYSA-J. The full InChI is InChI=1S/2C7H13O5P.4CH3.2H2O/c2*1-6(2)7(8)11-4-5-12-13(3,9)10;;;;;;/h2*1,4-5H2,2-3H3,(H,9,10);4*1H3;2*1H2/q;;4*+1;;/p-4.
What are the key properties of carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide?
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide has a molecular weight of 508.44 g/mol, XLogP of 2.06, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide is sourced from PubChem (CID 160914633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).