bis(2-methylprop-2-enoyloxy)-oxophosphanium

C8H10O5P+ — CID 87559559

IUPACbis(2-methylprop-2-enoyloxy)-oxophosphanium
SMILESC=C(C)C(=O)O[P+](=O)OC(=O)C(=C)C
InChIInChI=1S/C8H10O5P/c1-5(2)7(9)12-14(11)13-8(10)6(3)4/h1,3H2,2,4H3/q+1
InChIKeyQEFJCZDQHNGZKI-UHFFFAOYSA-N
MW217.14 g/mol
LogP1.88
Rot. Bonds4

About bis(2-methylprop-2-enoyloxy)-oxophosphanium

bis(2-methylprop-2-enoyloxy)-oxophosphanium (PubChem CID 87559559) has the molecular formula C8H10O5P+ and a molecular weight of 217.14 g/mol. Its IUPAC name is bis(2-methylprop-2-enoyloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-methylprop-2-enoyloxy)-oxophosphanium
PubChem CID87559559
Molecular FormulaC8H10O5P+
Molecular Weight217.14 g/mol
Exact Mass217.03
IUPAC Namebis(2-methylprop-2-enoyloxy)-oxophosphanium
SMILESC=C(C)C(=O)O[P+](=O)OC(=O)C(=C)C
InChIInChI=1S/C8H10O5P/c1-5(2)7(9)12-14(11)13-8(10)6(3)4/h1,3H2,2,4H3/q+1
InChIKeyQEFJCZDQHNGZKI-UHFFFAOYSA-N
XLogP1.88
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
azanide;iridium;2-methylprop-2-enoyloxyazanide
CID 87502802
bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
CID 22140109
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoyloxy)-oxophosphanium?
The IUPAC name of bis(2-methylprop-2-enoyloxy)-oxophosphanium (CID 87559559) is bis(2-methylprop-2-enoyloxy)-oxophosphanium.
What is the SMILES notation for bis(2-methylprop-2-enoyloxy)-oxophosphanium?
The canonical SMILES for bis(2-methylprop-2-enoyloxy)-oxophosphanium is C=C(C)C(=O)O[P+](=O)OC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoyloxy)-oxophosphanium?
The InChIKey is QEFJCZDQHNGZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5P/c1-5(2)7(9)12-14(11)13-8(10)6(3)4/h1,3H2,2,4H3/q+1.
What are the key properties of bis(2-methylprop-2-enoyloxy)-oxophosphanium?
bis(2-methylprop-2-enoyloxy)-oxophosphanium has a molecular weight of 217.14 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoyloxy)-oxophosphanium is sourced from PubChem (CID 87559559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).