hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium

C9H20O3P+ — CID 130434432

IUPAChydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
SMILESCC(C)(C)CC(C)(C)CO[P+](=O)O
InChIInChI=1S/C9H19O3P/c1-8(2,3)6-9(4,5)7-12-13(10)11/h6-7H2,1-5H3/p+1
InChIKeyYIABIMJGCBLBAD-UHFFFAOYSA-O
MW207.23 g/mol
LogP3.12
Rot. Bonds4

About hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium

hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium (PubChem CID 130434432) has the molecular formula C9H20O3P+ and a molecular weight of 207.23 g/mol. Its IUPAC name is hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
PubChem CID130434432
Molecular FormulaC9H20O3P+
Molecular Weight207.23 g/mol
Exact Mass207.11
IUPAC Namehydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium
SMILESCC(C)(C)CC(C)(C)CO[P+](=O)O
InChIInChI=1S/C9H19O3P/c1-8(2,3)6-9(4,5)7-12-13(10)11/h6-7H2,1-5H3/p+1
InChIKeyYIABIMJGCBLBAD-UHFFFAOYSA-O
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-bromo-2,2-bis(bromomethyl)propoxy]-hydroxy-oxophosphanium
CID 172748719
2,2,4,4-tetramethylpentyl hydrogen sulfate
CID 121371300
2,2-dimethylpropoxycarbonyloxymethoxy-hydroxy-oxophosphanium
CID 175510991
hydroxy-(2-hydroxy-2-methyl-3-oxopent-4-enoxy)-oxophosphanium
CID 174761402
2,2,4,4,6,6-hexamethylheptane
CID 2795065
ethoxy-hydroxy-oxophosphanium;rhenium
CID 174770511
CID 6368648
CID 6368648
hydroxy-[2-[hydroxy(oxo)phosphaniumyl]oxyethoxy]-oxophosphanium;nickel
CID 174980367
2,2-dimethylpropyl-hydroxy-oxophosphanium
CID 89268152
2-bromoethoxy-hydroxy-oxophosphanium;N,N-dimethylmethanamine
CID 174957638
2,2,4,4-tetramethylpentyl 2-cyanoprop-2-enoate
CID 129191043
2,2,4,4,6,6-hexamethylheptane;molecular hydrogen
CID 167544338

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium?
The IUPAC name of hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium (CID 130434432) is hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium.
What is the SMILES notation for hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium?
The canonical SMILES for hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium is CC(C)(C)CC(C)(C)CO[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium?
The InChIKey is YIABIMJGCBLBAD-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19O3P/c1-8(2,3)6-9(4,5)7-12-13(10)11/h6-7H2,1-5H3/p+1.
What are the key properties of hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium?
hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium has a molecular weight of 207.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(2,2,4,4-tetramethylpentoxy)phosphanium is sourced from PubChem (CID 130434432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).