tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium

C22H46O6PTi+ — CID 173147544

IUPACtetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
SMILESCCCCO.CCCCO.CCCCO.CCCCO.O=[P+](O)c1ccccc1.[Ti]
InChIInChI=1S/C6H5O2P.4C4H10O.Ti/c7-9(8)6-4-2-1-3-5-6;4*1-2-3-4-5;/h1-5H;4*5H,2-4H2,1H3;/p+1
InChIKeyBSROGTMHLDELCQ-UHFFFAOYSA-O
MW485.45 g/mol
LogP4.16
Rot. Bonds9

About tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium

tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium (PubChem CID 173147544) has the molecular formula C22H46O6PTi+ and a molecular weight of 485.45 g/mol. Its IUPAC name is tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium.

Molecular Properties

Compound Nametetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
PubChem CID173147544
Molecular FormulaC22H46O6PTi+
Molecular Weight485.45 g/mol
Exact Mass485.25
IUPAC Nametetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
SMILESCCCCO.CCCCO.CCCCO.CCCCO.O=[P+](O)c1ccccc1.[Ti]
InChIInChI=1S/C6H5O2P.4C4H10O.Ti/c7-9(8)6-4-2-1-3-5-6;4*1-2-3-4-5;/h1-5H;4*5H,2-4H2,1H3;/p+1
InChIKeyBSROGTMHLDELCQ-UHFFFAOYSA-O
XLogP4.16
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium?
The IUPAC name of tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium (CID 173147544) is tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium.
What is the SMILES notation for tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium?
The canonical SMILES for tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium is CCCCO.CCCCO.CCCCO.CCCCO.O=[P+](O)c1ccccc1.[Ti].
What is the InChIKey of tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium?
The InChIKey is BSROGTMHLDELCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5O2P.4C4H10O.Ti/c7-9(8)6-4-2-1-3-5-6;4*1-2-3-4-5;/h1-5H;4*5H,2-4H2,1H3;/p+1.
What are the key properties of tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium?
tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium has a molecular weight of 485.45 g/mol, XLogP of 4.16, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium is sourced from PubChem (CID 173147544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).