butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium

C8H18O3P2+2 — CID 90764185

IUPACbutyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium
SMILESCCCC[P+](=O)C=O.CC[P+](C)=O
InChIInChI=1S/C5H10O2P.C3H8OP/c1-2-3-4-8(7)5-6;1-3-5(2)4/h5H,2-4H2,1H3;3H2,1-2H3/q2*+1
InChIKeyMZARDMNSTHVXIV-UHFFFAOYSA-N
MW224.18 g/mol
LogP3.27
Rot. Bonds5

About butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium

butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium (PubChem CID 90764185) has the molecular formula C8H18O3P2+2 and a molecular weight of 224.18 g/mol. Its IUPAC name is butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium.

Molecular Properties

Compound Namebutyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium
PubChem CID90764185
Molecular FormulaC8H18O3P2+2
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Namebutyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium
SMILESCCCC[P+](=O)C=O.CC[P+](C)=O
InChIInChI=1S/C5H10O2P.C3H8OP/c1-2-3-4-8(7)5-6;1-3-5(2)4/h5H,2-4H2,1H3;3H2,1-2H3/q2*+1
InChIKeyMZARDMNSTHVXIV-UHFFFAOYSA-N
XLogP3.27
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl-ethyl-oxophosphanium
CID 154126578
butyl-heptoxy-oxophosphanium
CID 22497580
hexanal;trihydrochloride
CID 175325753
hexane;tetrahydrochloride
CID 18520801
disulfanyl-hexyl-oxophosphanium
CID 175340407
ethenoxy-octyl-oxophosphanium
CID 175403596
formyl formate;hexane;methanol
CID 159655348
methyl formate;octane;hydrochloride
CID 174875617
decanal;dihydrochloride
CID 87616227
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
ethoxy-octyl-oxophosphanium
CID 14512429

Frequently Asked Questions

What is the IUPAC name of butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium?
The IUPAC name of butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium (CID 90764185) is butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium.
What is the SMILES notation for butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium?
The canonical SMILES for butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium is CCCC[P+](=O)C=O.CC[P+](C)=O.
What is the InChIKey of butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium?
The InChIKey is MZARDMNSTHVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2P.C3H8OP/c1-2-3-4-8(7)5-6;1-3-5(2)4/h5H,2-4H2,1H3;3H2,1-2H3/q2*+1.
What are the key properties of butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium?
butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium has a molecular weight of 224.18 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-formyl-oxophosphanium;ethyl-methyl-oxophosphanium is sourced from PubChem (CID 90764185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).