titanium;1,1,2-tris(2-methylpropoxy)ethanol

C14H30O4Ti — CID 87320537

IUPACtitanium;1,1,2-tris(2-methylpropoxy)ethanol
SMILESCC(C)COCC(O)(OCC(C)C)OCC(C)C.[Ti]
InChIInChI=1S/C14H30O4.Ti/c1-11(2)7-16-10-14(15,17-8-12(3)4)18-9-13(5)6;/h11-13,15H,7-10H2,1-6H3;
InChIKeyGGZAISRDATXRDO-UHFFFAOYSA-N
MW310.26 g/mol
LogP2.65
Rot. Bonds10

About titanium;1,1,2-tris(2-methylpropoxy)ethanol

titanium;1,1,2-tris(2-methylpropoxy)ethanol (PubChem CID 87320537) has the molecular formula C14H30O4Ti and a molecular weight of 310.26 g/mol. Its IUPAC name is titanium;1,1,2-tris(2-methylpropoxy)ethanol.

Molecular Properties

Compound Nametitanium;1,1,2-tris(2-methylpropoxy)ethanol
PubChem CID87320537
Molecular FormulaC14H30O4Ti
Molecular Weight310.26 g/mol
Exact Mass310.16
IUPAC Nametitanium;1,1,2-tris(2-methylpropoxy)ethanol
SMILESCC(C)COCC(O)(OCC(C)C)OCC(C)C.[Ti]
InChIInChI=1S/C14H30O4.Ti/c1-11(2)7-16-10-14(15,17-8-12(3)4)18-9-13(5)6;/h11-13,15H,7-10H2,1-6H3;
InChIKeyGGZAISRDATXRDO-UHFFFAOYSA-N
XLogP2.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze titanium;1,1,2-tris(2-methylpropoxy)ethanol 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

1,1,2-tris(2-methylpropoxy)ethanol;zirconium
CID 87320742
titanium;tris(2-methylpropoxy)methanol
CID 87320459
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175404874
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
ethanol;2-methyl-1-(2-methylpropoxy)propane
CID 23506368
1-[2-[2-[1-[3-(2-hydroxypropoxy)-2-[2-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)-3-(2-methylpropoxy)propoxy]propan-2-ol
CID 162486786
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
CID 153290238
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
N,2,2-trimethyl-3-(2-methylpropoxy)propan-1-amine
CID 79620527
3-ethyl-3-(2-methylpropoxy)pentane
CID 123413367
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635

Frequently Asked Questions

What is the IUPAC name of titanium;1,1,2-tris(2-methylpropoxy)ethanol?
The IUPAC name of titanium;1,1,2-tris(2-methylpropoxy)ethanol (CID 87320537) is titanium;1,1,2-tris(2-methylpropoxy)ethanol.
What is the SMILES notation for titanium;1,1,2-tris(2-methylpropoxy)ethanol?
The canonical SMILES for titanium;1,1,2-tris(2-methylpropoxy)ethanol is CC(C)COCC(O)(OCC(C)C)OCC(C)C.[Ti].
What is the InChIKey of titanium;1,1,2-tris(2-methylpropoxy)ethanol?
The InChIKey is GGZAISRDATXRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4.Ti/c1-11(2)7-16-10-14(15,17-8-12(3)4)18-9-13(5)6;/h11-13,15H,7-10H2,1-6H3;.
What are the key properties of titanium;1,1,2-tris(2-methylpropoxy)ethanol?
titanium;1,1,2-tris(2-methylpropoxy)ethanol has a molecular weight of 310.26 g/mol, XLogP of 2.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;1,1,2-tris(2-methylpropoxy)ethanol is sourced from PubChem (CID 87320537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).