titanium;1,1,2-triethoxy-2-methylpropan-1-ol

C10H22O4Ti — CID 87321187

IUPACtitanium;1,1,2-triethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)(OCC)OCC.[Ti]
InChIInChI=1S/C10H22O4.Ti/c1-6-12-9(4,5)10(11,13-7-2)14-8-3;/h11H,6-8H2,1-5H3;
InChIKeyYLJGFYDSFPXQLI-UHFFFAOYSA-N
MW254.15 g/mol
LogP1.52
Rot. Bonds7

About titanium;1,1,2-triethoxy-2-methylpropan-1-ol

titanium;1,1,2-triethoxy-2-methylpropan-1-ol (PubChem CID 87321187) has the molecular formula C10H22O4Ti and a molecular weight of 254.15 g/mol. Its IUPAC name is titanium;1,1,2-triethoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Nametitanium;1,1,2-triethoxy-2-methylpropan-1-ol
PubChem CID87321187
Molecular FormulaC10H22O4Ti
Molecular Weight254.15 g/mol
Exact Mass254.10
IUPAC Nametitanium;1,1,2-triethoxy-2-methylpropan-1-ol
SMILESCCOC(C)(C)C(O)(OCC)OCC.[Ti]
InChIInChI=1S/C10H22O4.Ti/c1-6-12-9(4,5)10(11,13-7-2)14-8-3;/h11H,6-8H2,1-5H3;
InChIKeyYLJGFYDSFPXQLI-UHFFFAOYSA-N
XLogP1.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxy-2,3-dimethylbutan-2-yl)oxypropan-2-ol
CID 170039008
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
1-amino-2-ethoxypropan-2-ol
CID 174792064
1-ethoxypentane-1,1,4,4-tetrol
CID 91379347
2-ethoxy-1-methoxypropan-2-ol
CID 148549797
1,1-dichloro-2-ethoxypropan-2-ol
CID 141478859
1,3-diamino-2-ethoxypropan-2-ol
CID 174780599
2,2,5,5-tetraethoxyhexane
CID 42611383
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218

Frequently Asked Questions

What is the IUPAC name of titanium;1,1,2-triethoxy-2-methylpropan-1-ol?
The IUPAC name of titanium;1,1,2-triethoxy-2-methylpropan-1-ol (CID 87321187) is titanium;1,1,2-triethoxy-2-methylpropan-1-ol.
What is the SMILES notation for titanium;1,1,2-triethoxy-2-methylpropan-1-ol?
The canonical SMILES for titanium;1,1,2-triethoxy-2-methylpropan-1-ol is CCOC(C)(C)C(O)(OCC)OCC.[Ti].
What is the InChIKey of titanium;1,1,2-triethoxy-2-methylpropan-1-ol?
The InChIKey is YLJGFYDSFPXQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.Ti/c1-6-12-9(4,5)10(11,13-7-2)14-8-3;/h11H,6-8H2,1-5H3;.
What are the key properties of titanium;1,1,2-triethoxy-2-methylpropan-1-ol?
titanium;1,1,2-triethoxy-2-methylpropan-1-ol has a molecular weight of 254.15 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;1,1,2-triethoxy-2-methylpropan-1-ol is sourced from PubChem (CID 87321187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).