carbanide;2-methylpropan-2-ol;titanium

C5H13OTi- — CID 174438258

IUPACcarbanide;2-methylpropan-2-ol;titanium
SMILESCC(C)(C)O.[CH3-].[Ti]
InChIInChI=1S/C4H10O.CH3.Ti/c1-4(2,3)5;;/h5H,1-3H3;1H3;/q;-1;
InChIKeyQEUWBTOWYPCVTC-UHFFFAOYSA-N
MW137.02 g/mol
LogP1.22
Rot. Bonds

About carbanide;2-methylpropan-2-ol;titanium

carbanide;2-methylpropan-2-ol;titanium (PubChem CID 174438258) has the molecular formula C5H13OTi- and a molecular weight of 137.02 g/mol. Its IUPAC name is carbanide;2-methylpropan-2-ol;titanium.

Molecular Properties

Compound Namecarbanide;2-methylpropan-2-ol;titanium
PubChem CID174438258
Molecular FormulaC5H13OTi-
Molecular Weight137.02 g/mol
Exact Mass137.05
IUPAC Namecarbanide;2-methylpropan-2-ol;titanium
SMILESCC(C)(C)O.[CH3-].[Ti]
InChIInChI=1S/C4H10O.CH3.Ti/c1-4(2,3)5;;/h5H,1-3H3;1H3;/q;-1;
InChIKeyQEUWBTOWYPCVTC-UHFFFAOYSA-N
XLogP1.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.02
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze carbanide;2-methylpropan-2-ol;titanium 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 carbanide;2-methylpropan-2-ol;titanium?
The IUPAC name of carbanide;2-methylpropan-2-ol;titanium (CID 174438258) is carbanide;2-methylpropan-2-ol;titanium.
What is the SMILES notation for carbanide;2-methylpropan-2-ol;titanium?
The canonical SMILES for carbanide;2-methylpropan-2-ol;titanium is CC(C)(C)O.[CH3-].[Ti].
What is the InChIKey of carbanide;2-methylpropan-2-ol;titanium?
The InChIKey is QEUWBTOWYPCVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH3.Ti/c1-4(2,3)5;;/h5H,1-3H3;1H3;/q;-1;.
What are the key properties of carbanide;2-methylpropan-2-ol;titanium?
carbanide;2-methylpropan-2-ol;titanium has a molecular weight of 137.02 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-methylpropan-2-ol;titanium is sourced from PubChem (CID 174438258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).