tris(propan-2-ol);prop-2-enoic acid;titanium

C12H28O5Ti — CID 19993431

IUPACtris(propan-2-ol);prop-2-enoic acid;titanium
SMILESC=CC(=O)O.CC(C)O.CC(C)O.CC(C)O.[Ti]
InChIInChI=1S/C3H4O2.3C3H8O.Ti/c1-2-3(4)5;3*1-3(2)4;/h2H,1H2,(H,4,5);3*3-4H,1-2H3;
InChIKeyQCUGMZDNIUDREH-UHFFFAOYSA-N
MW300.22 g/mol
LogP1.42
Rot. Bonds1

About tris(propan-2-ol);prop-2-enoic acid;titanium

tris(propan-2-ol);prop-2-enoic acid;titanium (PubChem CID 19993431) has the molecular formula C12H28O5Ti and a molecular weight of 300.22 g/mol. Its IUPAC name is tris(propan-2-ol);prop-2-enoic acid;titanium.

Molecular Properties

Compound Nametris(propan-2-ol);prop-2-enoic acid;titanium
PubChem CID19993431
Molecular FormulaC12H28O5Ti
Molecular Weight300.22 g/mol
Exact Mass300.14
IUPAC Nametris(propan-2-ol);prop-2-enoic acid;titanium
SMILESC=CC(=O)O.CC(C)O.CC(C)O.CC(C)O.[Ti]
InChIInChI=1S/C3H4O2.3C3H8O.Ti/c1-2-3(4)5;3*1-3(2)4;/h2H,1H2,(H,4,5);3*3-4H,1-2H3;
InChIKeyQCUGMZDNIUDREH-UHFFFAOYSA-N
XLogP1.42
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(propan-2-ol);prop-2-enoic acid;titanium?
The IUPAC name of tris(propan-2-ol);prop-2-enoic acid;titanium (CID 19993431) is tris(propan-2-ol);prop-2-enoic acid;titanium.
What is the SMILES notation for tris(propan-2-ol);prop-2-enoic acid;titanium?
The canonical SMILES for tris(propan-2-ol);prop-2-enoic acid;titanium is C=CC(=O)O.CC(C)O.CC(C)O.CC(C)O.[Ti].
What is the InChIKey of tris(propan-2-ol);prop-2-enoic acid;titanium?
The InChIKey is QCUGMZDNIUDREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.3C3H8O.Ti/c1-2-3(4)5;3*1-3(2)4;/h2H,1H2,(H,4,5);3*3-4H,1-2H3;.
What are the key properties of tris(propan-2-ol);prop-2-enoic acid;titanium?
tris(propan-2-ol);prop-2-enoic acid;titanium has a molecular weight of 300.22 g/mol, XLogP of 1.42, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-2-ol);prop-2-enoic acid;titanium is sourced from PubChem (CID 19993431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).