2-methanidylpropane;tris(propan-2-ol);titanium

C13H33O3Ti- — CID 134890995

IUPAC2-methanidylpropane;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.[CH2-]C(C)C.[Ti]
InChIInChI=1S/C4H9.3C3H8O.Ti/c1-4(2)3;3*1-3(2)4;/h4H,1H2,2-3H3;3*3-4H,1-2H3;/q-1;;;;
InChIKeyIEXJTHSKDRZZTM-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.64
Rot. Bonds

About 2-methanidylpropane;tris(propan-2-ol);titanium

2-methanidylpropane;tris(propan-2-ol);titanium (PubChem CID 134890995) has the molecular formula C13H33O3Ti- and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-methanidylpropane;tris(propan-2-ol);titanium.

Molecular Properties

Compound Name2-methanidylpropane;tris(propan-2-ol);titanium
PubChem CID134890995
Molecular FormulaC13H33O3Ti-
Molecular Weight285.27 g/mol
Exact Mass285.19
IUPAC Name2-methanidylpropane;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.[CH2-]C(C)C.[Ti]
InChIInChI=1S/C4H9.3C3H8O.Ti/c1-4(2)3;3*1-3(2)4;/h4H,1H2,2-3H3;3*3-4H,1-2H3;/q-1;;;;
InChIKeyIEXJTHSKDRZZTM-UHFFFAOYSA-N
XLogP2.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-ol;titanium
CID 25200171
propan-2-ol;titanium;hydroiodide
CID 175242007
CID 175756453
CID 175756453
bis(propan-2-ol);titanium;hydrochloride
CID 87233898
tris(propan-2-ol);titanium;hydrate
CID 22645817
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
propan-2-ol;yttrium
CID 59895295
propane;tris(propan-2-ol);titanium
CID 139888179
promethium;propan-2-ol
CID 174475698
Indium(III) isopropoxide
CID 159258374
tetrakis(propan-2-ol);samarium
CID 175326578
CID 131857540
CID 131857540

Frequently Asked Questions

What is the IUPAC name of 2-methanidylpropane;tris(propan-2-ol);titanium?
The IUPAC name of 2-methanidylpropane;tris(propan-2-ol);titanium (CID 134890995) is 2-methanidylpropane;tris(propan-2-ol);titanium.
What is the SMILES notation for 2-methanidylpropane;tris(propan-2-ol);titanium?
The canonical SMILES for 2-methanidylpropane;tris(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(C)O.[CH2-]C(C)C.[Ti].
What is the InChIKey of 2-methanidylpropane;tris(propan-2-ol);titanium?
The InChIKey is IEXJTHSKDRZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.3C3H8O.Ti/c1-4(2)3;3*1-3(2)4;/h4H,1H2,2-3H3;3*3-4H,1-2H3;/q-1;;;;.
What are the key properties of 2-methanidylpropane;tris(propan-2-ol);titanium?
2-methanidylpropane;tris(propan-2-ol);titanium has a molecular weight of 285.27 g/mol, XLogP of 2.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidylpropane;tris(propan-2-ol);titanium is sourced from PubChem (CID 134890995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).