butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium

C9H18O5P+ — CID 118588536

IUPACbutane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
SMILESC=C(C)C(=O)OCO[P+](=O)O.CCCC
InChIInChI=1S/C5H7O5P.C4H10/c1-4(2)5(6)9-3-10-11(7)8;1-3-4-2/h1,3H2,2H3;3-4H2,1-2H3/p+1
InChIKeyOFJCIUJJNHFKKH-UHFFFAOYSA-O
MW237.21 g/mol
LogP2.54
Rot. Bonds5

About butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium

butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium (PubChem CID 118588536) has the molecular formula C9H18O5P+ and a molecular weight of 237.21 g/mol. Its IUPAC name is butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium.

Molecular Properties

Compound Namebutane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
PubChem CID118588536
Molecular FormulaC9H18O5P+
Molecular Weight237.21 g/mol
Exact Mass237.09
IUPAC Namebutane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium
SMILESC=C(C)C(=O)OCO[P+](=O)O.CCCC
InChIInChI=1S/C5H7O5P.C4H10/c1-4(2)5(6)9-3-10-11(7)8;1-3-4-2/h1,3H2,2H3;3-4H2,1-2H3/p+1
InChIKeyOFJCIUJJNHFKKH-UHFFFAOYSA-O
XLogP2.54
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[10-(2-methylprop-2-enoyloxy)decoxy]-oxophosphanium
CID 23389450
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
ethyl 2-methylprop-2-enoate
CID 130475774
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;methane
CID 159235789
[hydroxy(methyl)phosphinothioyl]oxymethyl 2-methylprop-2-enoate
CID 20684939
tris(hydroxymethyl 2-methylprop-2-enoate);propane
CID 157070076

Frequently Asked Questions

What is the IUPAC name of butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium?
The IUPAC name of butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium (CID 118588536) is butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium.
What is the SMILES notation for butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium?
The canonical SMILES for butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium is C=C(C)C(=O)OCO[P+](=O)O.CCCC.
What is the InChIKey of butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium?
The InChIKey is OFJCIUJJNHFKKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7O5P.C4H10/c1-4(2)5(6)9-3-10-11(7)8;1-3-4-2/h1,3H2,2H3;3-4H2,1-2H3/p+1.
What are the key properties of butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium?
butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium has a molecular weight of 237.21 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;hydroxy-(2-methylprop-2-enoyloxymethoxy)-oxophosphanium is sourced from PubChem (CID 118588536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).