(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium

C7H14O4P+ — CID 87462737

IUPAC(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium
SMILESCC(C)CC(CC(=O)O)[P+](=O)O
InChIInChI=1S/C7H13O4P/c1-5(2)3-6(12(10)11)4-7(8)9/h5-6H,3-4H2,1-2H3,(H-,8,9,10,11)/p+1
InChIKeyGORLEUBSSJKZNF-UHFFFAOYSA-O
MW193.16 g/mol
LogP1.61
Rot. Bonds5

About (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium

(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium (PubChem CID 87462737) has the molecular formula C7H14O4P+ and a molecular weight of 193.16 g/mol. Its IUPAC name is (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium
PubChem CID87462737
Molecular FormulaC7H14O4P+
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium
SMILESCC(C)CC(CC(=O)O)[P+](=O)O
InChIInChI=1S/C7H13O4P/c1-5(2)3-6(12(10)11)4-7(8)9/h5-6H,3-4H2,1-2H3,(H-,8,9,10,11)/p+1
InChIKeyGORLEUBSSJKZNF-UHFFFAOYSA-O
XLogP1.61
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium?
The IUPAC name of (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium (CID 87462737) is (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium.
What is the SMILES notation for (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium?
The canonical SMILES for (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium is CC(C)CC(CC(=O)O)[P+](=O)O.
What is the InChIKey of (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium?
The InChIKey is GORLEUBSSJKZNF-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13O4P/c1-5(2)3-6(12(10)11)4-7(8)9/h5-6H,3-4H2,1-2H3,(H-,8,9,10,11)/p+1.
What are the key properties of (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium?
(1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium has a molecular weight of 193.16 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carboxy-4-methylpentan-2-yl)-hydroxy-oxophosphanium is sourced from PubChem (CID 87462737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).