(3-ethyl-2-oxopentoxy)-oxido-oxophosphanium

C7H13O4P — CID 86633236

IUPAC(3-ethyl-2-oxopentoxy)-oxido-oxophosphanium
SMILESCCC(CC)C(=O)CO[P+](=O)[O-]
InChIInChI=1S/C7H13O4P/c1-3-6(4-2)7(8)5-11-12(9)10/h6H,3-5H2,1-2H3
InChIKeyXADDKZXRHVUAMG-UHFFFAOYSA-N
MW192.15 g/mol
LogP1.03
Rot. Bonds6

About (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium

(3-ethyl-2-oxopentoxy)-oxido-oxophosphanium (PubChem CID 86633236) has the molecular formula C7H13O4P and a molecular weight of 192.15 g/mol. Its IUPAC name is (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium.

Molecular Properties

Compound Name(3-ethyl-2-oxopentoxy)-oxido-oxophosphanium
PubChem CID86633236
Molecular FormulaC7H13O4P
Molecular Weight192.15 g/mol
Exact Mass192.06
IUPAC Name(3-ethyl-2-oxopentoxy)-oxido-oxophosphanium
SMILESCCC(CC)C(=O)CO[P+](=O)[O-]
InChIInChI=1S/C7H13O4P/c1-3-6(4-2)7(8)5-11-12(9)10/h6H,3-5H2,1-2H3
InChIKeyXADDKZXRHVUAMG-UHFFFAOYSA-N
XLogP1.03
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethoxy-oxido-oxophosphanium
CID 152749176
oxido-oxo-(4,4,4-trifluoro-2-oxobutoxy)phosphanium
CID 57355994
3-ethyl-1-(propan-2-ylamino)pentan-2-one
CID 116554985
bis(4-ethyl-3-oxohexanoate);titanium(2+);dihydrate
CID 174056895
magnesium bis(oxido-oxo-propoxyphosphanium)
CID 158469666
sodium 2-(hydroxymethyl)butanoate
CID 23711714
lithium 2-ethylbutanoate
CID 23681528
tris(2-ethylbutanoate);niobium(3+)
CID 173096666
methyl 5-ethyl-2-hydroxy-4-oxoheptanoate
CID 19688722
4-ethyl-1-propoxyhexan-3-one
CID 105117422
calcium bis(butoxy-oxido-oxophosphanium)
CID 161238032
3-ethyl-1-(ethylamino)pentan-2-one
CID 116562665

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium?
The IUPAC name of (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium (CID 86633236) is (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium.
What is the SMILES notation for (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium?
The canonical SMILES for (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium is CCC(CC)C(=O)CO[P+](=O)[O-].
What is the InChIKey of (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium?
The InChIKey is XADDKZXRHVUAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O4P/c1-3-6(4-2)7(8)5-11-12(9)10/h6H,3-5H2,1-2H3.
What are the key properties of (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium?
(3-ethyl-2-oxopentoxy)-oxido-oxophosphanium has a molecular weight of 192.15 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-oxopentoxy)-oxido-oxophosphanium is sourced from PubChem (CID 86633236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).