hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium

C8H18O3P+ — CID 139581788

IUPAChydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium
SMILESCC(OC(C)(C)C)C(C)[P+](=O)O
InChIInChI=1S/C8H17O3P/c1-6(7(2)12(9)10)11-8(3,4)5/h6-7H,1-5H3/p+1
InChIKeyXBERFVNAXIFUBS-UHFFFAOYSA-O
MW193.20 g/mol
LogP2.31
Rot. Bonds3

About hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium

hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium (PubChem CID 139581788) has the molecular formula C8H18O3P+ and a molecular weight of 193.20 g/mol. Its IUPAC name is hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium
PubChem CID139581788
Molecular FormulaC8H18O3P+
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Namehydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium
SMILESCC(OC(C)(C)C)C(C)[P+](=O)O
InChIInChI=1S/C8H17O3P/c1-6(7(2)12(9)10)11-8(3,4)5/h6-7H,1-5H3/p+1
InChIKeyXBERFVNAXIFUBS-UHFFFAOYSA-O
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium?
The IUPAC name of hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium (CID 139581788) is hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium.
What is the SMILES notation for hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium?
The canonical SMILES for hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium is CC(OC(C)(C)C)C(C)[P+](=O)O.
What is the InChIKey of hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium?
The InChIKey is XBERFVNAXIFUBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17O3P/c1-6(7(2)12(9)10)11-8(3,4)5/h6-7H,1-5H3/p+1.
What are the key properties of hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium?
hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium has a molecular weight of 193.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[(2-methylpropan-2-yl)oxy]butan-2-yl]-oxophosphanium is sourced from PubChem (CID 139581788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).