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

C12H31O3Ti- — CID 139888179

IUPACpropane;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.[CH2-]CC.[Ti]
InChIInChI=1S/3C3H8O.C3H7.Ti/c3*1-3(2)4;1-3-2;/h3*3-4H,1-2H3;1,3H2,2H3;/q;;;-1;
InChIKeyQVXJQARSWSYVHO-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.39
Rot. Bonds

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

propane;tris(propan-2-ol);titanium (PubChem CID 139888179) has the molecular formula C12H31O3Ti- and a molecular weight of 271.24 g/mol. Its IUPAC name is propane;tris(propan-2-ol);titanium.

Molecular Properties

Compound Namepropane;tris(propan-2-ol);titanium
PubChem CID139888179
Molecular FormulaC12H31O3Ti-
Molecular Weight271.24 g/mol
Exact Mass271.18
IUPAC Namepropane;tris(propan-2-ol);titanium
SMILESCC(C)O.CC(C)O.CC(C)O.[CH2-]CC.[Ti]
InChIInChI=1S/3C3H8O.C3H7.Ti/c3*1-3(2)4;1-3-2;/h3*3-4H,1-2H3;1,3H2,2H3;/q;;;-1;
InChIKeyQVXJQARSWSYVHO-UHFFFAOYSA-N
XLogP2.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.39
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
N-ethylethanamine;propan-2-ol;titanium
CID 59928872
2-methanidylpropane;tris(propan-2-ol);titanium
CID 134890995
2-methanidylpropane;propane;tungsten(2+)
CID 59881862
dodecane;propan-2-ol;titanium
CID 88687204
tetrakis(propan-1-ol);tetrakis(propan-2-ol);titanium
CID 87932046
tris(propan-2-ol);titanium;hydrate
CID 22645817
CID 175756453
CID 175756453
bis(propan-2-ol);titanium;hydrochloride
CID 87233898
propan-2-ol;titanium;hydroiodide
CID 175242007
hypochlorous acid;bis(propan-2-ol);titanium
CID 88685410
ethane-1,2-diol;ethanol;propan-2-ol
CID 172702663

Frequently Asked Questions

What is the IUPAC name of propane;tris(propan-2-ol);titanium?
The IUPAC name of propane;tris(propan-2-ol);titanium (CID 139888179) is propane;tris(propan-2-ol);titanium.
What is the SMILES notation for propane;tris(propan-2-ol);titanium?
The canonical SMILES for propane;tris(propan-2-ol);titanium is CC(C)O.CC(C)O.CC(C)O.[CH2-]CC.[Ti].
What is the InChIKey of propane;tris(propan-2-ol);titanium?
The InChIKey is QVXJQARSWSYVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H8O.C3H7.Ti/c3*1-3(2)4;1-3-2;/h3*3-4H,1-2H3;1,3H2,2H3;/q;;;-1;.
What are the key properties of propane;tris(propan-2-ol);titanium?
propane;tris(propan-2-ol);titanium has a molecular weight of 271.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propane;tris(propan-2-ol);titanium is sourced from PubChem (CID 139888179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).