oxotitanium;bis(pentane-2,4-diol)

C10H24O5Ti — CID 166004724

IUPACoxotitanium;bis(pentane-2,4-diol)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.O=[Ti]
InChIInChI=1S/2C5H12O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*4-7H,3H2,1-2H3;;
InChIKeyLSHWZRCALWGXMM-UHFFFAOYSA-N
MW272.16 g/mol
LogP0.15
Rot. Bonds4

About oxotitanium;bis(pentane-2,4-diol)

oxotitanium;bis(pentane-2,4-diol) (PubChem CID 166004724) has the molecular formula C10H24O5Ti and a molecular weight of 272.16 g/mol. Its IUPAC name is oxotitanium;bis(pentane-2,4-diol).

Molecular Properties

Compound Nameoxotitanium;bis(pentane-2,4-diol)
PubChem CID166004724
Molecular FormulaC10H24O5Ti
Molecular Weight272.16 g/mol
Exact Mass272.11
IUPAC Nameoxotitanium;bis(pentane-2,4-diol)
SMILESCC(O)CC(C)O.CC(O)CC(C)O.O=[Ti]
InChIInChI=1S/2C5H12O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*4-7H,3H2,1-2H3;;
InChIKeyLSHWZRCALWGXMM-UHFFFAOYSA-N
XLogP0.15
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 50.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze oxotitanium;bis(pentane-2,4-diol) 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

tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
CID 6395570
CID 6395570
lanthanum;tris(pentane-2,4-diol);dihydrate
CID 5245936
1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol
CID 159129228
1-(2,4-dihydroxypentylsulfanyl)pentane-2,4-diol
CID 139888300
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154

Frequently Asked Questions

What is the IUPAC name of oxotitanium;bis(pentane-2,4-diol)?
The IUPAC name of oxotitanium;bis(pentane-2,4-diol) (CID 166004724) is oxotitanium;bis(pentane-2,4-diol).
What is the SMILES notation for oxotitanium;bis(pentane-2,4-diol)?
The canonical SMILES for oxotitanium;bis(pentane-2,4-diol) is CC(O)CC(C)O.CC(O)CC(C)O.O=[Ti].
What is the InChIKey of oxotitanium;bis(pentane-2,4-diol)?
The InChIKey is LSHWZRCALWGXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H12O2.O.Ti/c2*1-4(6)3-5(2)7;;/h2*4-7H,3H2,1-2H3;;.
What are the key properties of oxotitanium;bis(pentane-2,4-diol)?
oxotitanium;bis(pentane-2,4-diol) has a molecular weight of 272.16 g/mol, XLogP of 0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxotitanium;bis(pentane-2,4-diol) is sourced from PubChem (CID 166004724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).