dodecane;propan-2-ol;titanium

C15H33OTi- — CID 88687204

IUPACdodecane;propan-2-ol;titanium
SMILESCC(C)O.[CH2-]CCCCCCCCCCC.[Ti]
InChIInChI=1S/C12H25.C3H8O.Ti/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4;/h1,3-12H2,2H3;3-4H,1-2H3;/q-1;;
InChIKeyZPGSAWYZWQLLEA-UHFFFAOYSA-N
MW277.29 g/mol
LogP5.13
Rot. Bonds9

About dodecane;propan-2-ol;titanium

dodecane;propan-2-ol;titanium (PubChem CID 88687204) has the molecular formula C15H33OTi- and a molecular weight of 277.29 g/mol. Its IUPAC name is dodecane;propan-2-ol;titanium.

Molecular Properties

Compound Namedodecane;propan-2-ol;titanium
PubChem CID88687204
Molecular FormulaC15H33OTi-
Molecular Weight277.29 g/mol
Exact Mass277.20
IUPAC Namedodecane;propan-2-ol;titanium
SMILESCC(C)O.[CH2-]CCCCCCCCCCC.[Ti]
InChIInChI=1S/C12H25.C3H8O.Ti/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4;/h1,3-12H2,2H3;3-4H,1-2H3;/q-1;;
InChIKeyZPGSAWYZWQLLEA-UHFFFAOYSA-N
XLogP5.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dodecane;propan-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

Related Compounds

methanol;octadecane;titanium
CID 87743640
decane;ethanol;titanium
CID 141397996
octadecane;titanium;hydrate
CID 87575322
octane;propan-2-ol
CID 160746796
heptadecane
CID 156905849
bis(octane);zinc
CID 175041964
cerium;dodecane
CID 154114371
dodecane;zirconium
CID 148549415
zinc heptane
CID 4204916
tris(heptane);vanadium
CID 59340167
sodium tritriacontane
CID 150964196
tetrakis(heptane);zirconium(4+)
CID 154501032

Frequently Asked Questions

What is the IUPAC name of dodecane;propan-2-ol;titanium?
The IUPAC name of dodecane;propan-2-ol;titanium (CID 88687204) is dodecane;propan-2-ol;titanium.
What is the SMILES notation for dodecane;propan-2-ol;titanium?
The canonical SMILES for dodecane;propan-2-ol;titanium is CC(C)O.[CH2-]CCCCCCCCCCC.[Ti].
What is the InChIKey of dodecane;propan-2-ol;titanium?
The InChIKey is ZPGSAWYZWQLLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25.C3H8O.Ti/c1-3-5-7-9-11-12-10-8-6-4-2;1-3(2)4;/h1,3-12H2,2H3;3-4H,1-2H3;/q-1;;.
What are the key properties of dodecane;propan-2-ol;titanium?
dodecane;propan-2-ol;titanium has a molecular weight of 277.29 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane;propan-2-ol;titanium is sourced from PubChem (CID 88687204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).