butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium

C8H18O5P+ — CID 87841333

IUPACbutane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
SMILESCCCC.CCOC(=O)CO[P+](=O)O
InChIInChI=1S/C4H7O5P.C4H10/c1-2-8-4(5)3-9-10(6)7;1-3-4-2/h2-3H2,1H3;3-4H2,1-2H3/p+1
InChIKeyIXJPCUZJBHSNKV-UHFFFAOYSA-O
MW225.20 g/mol
LogP2.02
Rot. Bonds5

About butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium

butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium (PubChem CID 87841333) has the molecular formula C8H18O5P+ and a molecular weight of 225.20 g/mol. Its IUPAC name is butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
PubChem CID87841333
Molecular FormulaC8H18O5P+
Molecular Weight225.20 g/mol
Exact Mass225.09
IUPAC Namebutane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium
SMILESCCCC.CCOC(=O)CO[P+](=O)O
InChIInChI=1S/C4H7O5P.C4H10/c1-2-8-4(5)3-9-10(6)7;1-3-4-2/h2-3H2,1H3;3-4H2,1-2H3/p+1
InChIKeyIXJPCUZJBHSNKV-UHFFFAOYSA-O
XLogP2.02
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-ethoxy-2-oxoethoxy)-oxophosphanium
CID 19009409
2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
CID 88613126
butane;diethyl propanedioate
CID 87110467
diethyl octa-3,5-diynedioate
CID 87382597
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
butane;[(2-ethoxy-2-oxoacetyl)amino]methoxy-hydroxy-oxophosphanium
CID 88709203
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
CID 172843337
CID 172843337
(3-ethoxy-3-oxopropoxy)-oxo-propoxyphosphanium
CID 56980086
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl 2-aminoacetate;zirconium
CID 174594488

Frequently Asked Questions

What is the IUPAC name of butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium?
The IUPAC name of butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium (CID 87841333) is butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium.
What is the SMILES notation for butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium?
The canonical SMILES for butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium is CCCC.CCOC(=O)CO[P+](=O)O.
What is the InChIKey of butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium?
The InChIKey is IXJPCUZJBHSNKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7O5P.C4H10/c1-2-8-4(5)3-9-10(6)7;1-3-4-2/h2-3H2,1H3;3-4H2,1-2H3/p+1.
What are the key properties of butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium?
butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium has a molecular weight of 225.20 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(2-ethoxy-2-oxoethoxy)-hydroxy-oxophosphanium is sourced from PubChem (CID 87841333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).