butane;ethenoxy-hydroxy-oxophosphanium

C6H14O3P+ — CID 87195641

IUPACbutane;ethenoxy-hydroxy-oxophosphanium
SMILESC=CO[P+](=O)O.CCCC
InChIInChI=1S/C4H10.C2H3O3P/c1-3-4-2;1-2-5-6(3)4/h3-4H2,1-2H3;2H,1H2/p+1
InChIKeyXMEVISZEONXGFP-UHFFFAOYSA-O
MW165.15 g/mol
LogP2.60
Rot. Bonds3

About butane;ethenoxy-hydroxy-oxophosphanium

butane;ethenoxy-hydroxy-oxophosphanium (PubChem CID 87195641) has the molecular formula C6H14O3P+ and a molecular weight of 165.15 g/mol. Its IUPAC name is butane;ethenoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Namebutane;ethenoxy-hydroxy-oxophosphanium
PubChem CID87195641
Molecular FormulaC6H14O3P+
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Namebutane;ethenoxy-hydroxy-oxophosphanium
SMILESC=CO[P+](=O)O.CCCC
InChIInChI=1S/C4H10.C2H3O3P/c1-3-4-2;1-2-5-6(3)4/h3-4H2,1-2H3;2H,1H2/p+1
InChIKeyXMEVISZEONXGFP-UHFFFAOYSA-O
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethenoxy-hydroxy-oxophosphanium
CID 6328071
acetylene;ethenoxy-hydroxy-oxophosphanium
CID 175157956
ethenoxy-octyl-oxophosphanium
CID 175403596
chloro-ethenoxy-oxophosphanium
CID 87697866
2-aminoprop-2-enoxy-hydroxy-oxophosphanium;butane
CID 88613126
1-aminoethoxy-hydroxy-oxophosphanium;butane
CID 87487815
azane;butane;phosphenous acid
CID 173067034
dihydroxy(oxo)phosphanium;bis(prop-1-ene)
CID 87707073
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
azane;butane;cyclobutane;dihydroxy(oxo)phosphanium
CID 67895311
butane;hydroxy-(methylsulfonylmethoxy)-oxophosphanium
CID 87364620

Frequently Asked Questions

What is the IUPAC name of butane;ethenoxy-hydroxy-oxophosphanium?
The IUPAC name of butane;ethenoxy-hydroxy-oxophosphanium (CID 87195641) is butane;ethenoxy-hydroxy-oxophosphanium.
What is the SMILES notation for butane;ethenoxy-hydroxy-oxophosphanium?
The canonical SMILES for butane;ethenoxy-hydroxy-oxophosphanium is C=CO[P+](=O)O.CCCC.
What is the InChIKey of butane;ethenoxy-hydroxy-oxophosphanium?
The InChIKey is XMEVISZEONXGFP-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10.C2H3O3P/c1-3-4-2;1-2-5-6(3)4/h3-4H2,1-2H3;2H,1H2/p+1.
What are the key properties of butane;ethenoxy-hydroxy-oxophosphanium?
butane;ethenoxy-hydroxy-oxophosphanium has a molecular weight of 165.15 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethenoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 87195641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).