ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium

C6H15O3PTi — CID 86657605

IUPACethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium
SMILESCCP(=O)(O)CC(C)CO.[Ti]
InChIInChI=1S/C6H15O3P.Ti/c1-3-10(8,9)5-6(2)4-7;/h6-7H,3-5H2,1-2H3,(H,8,9);
InChIKeyMWTFQLDGTFYLNS-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.90
Rot. Bonds4

About ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium

ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium (PubChem CID 86657605) has the molecular formula C6H15O3PTi and a molecular weight of 214.02 g/mol. Its IUPAC name is ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium.

Molecular Properties

Compound Nameethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium
PubChem CID86657605
Molecular FormulaC6H15O3PTi
Molecular Weight214.02 g/mol
Exact Mass214.02
IUPAC Nameethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium
SMILESCCP(=O)(O)CC(C)CO.[Ti]
InChIInChI=1S/C6H15O3P.Ti/c1-3-10(8,9)5-6(2)4-7;/h6-7H,3-5H2,1-2H3,(H,8,9);
InChIKeyMWTFQLDGTFYLNS-UHFFFAOYSA-N
XLogP0.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylbutyl)phosphinic acid;propane
CID 160577161
diethylphosphinic acid
CID 123698390
bis(diethylphosphinic acid);zinc
CID 91997271
2-amino-3-[ethyl(hydroxy)phosphoryl]propanoic acid
CID 78066634
bis(2-methylpropyl)phosphinic acid
CID 10233207
ethane;2-methylpropane-1,3-diol
CID 87127502
3-[hydroxy(2-methylpentyl)phosphoryl]-2-methylpropanoic acid
CID 54512413
2-methylbutan-1-ol;zirconium
CID 152608404
2-methyl-3-(propan-2-ylamino)propan-1-ol
CID 20806708
tris(dipropylphosphinic acid);propane-1,2,3-triol
CID 173171073
2-diethylphosphoryloxypropan-1-ol
CID 137435698
ethylphosphonic acid;phosphoric acid
CID 87124135

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium?
The IUPAC name of ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium (CID 86657605) is ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium.
What is the SMILES notation for ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium?
The canonical SMILES for ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium is CCP(=O)(O)CC(C)CO.[Ti].
What is the InChIKey of ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium?
The InChIKey is MWTFQLDGTFYLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P.Ti/c1-3-10(8,9)5-6(2)4-7;/h6-7H,3-5H2,1-2H3,(H,8,9);.
What are the key properties of ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium?
ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium has a molecular weight of 214.02 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-hydroxy-2-methylpropyl)phosphinic acid;titanium is sourced from PubChem (CID 86657605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).