ethane-1,2-diol;titanium(4+)

C2H6O2Ti+4 — CID 21124602

IUPACethane-1,2-diol;titanium(4+)
SMILESOCCO.[Ti+4]
InChIInChI=1S/C2H6O2.Ti/c3-1-2-4;/h3-4H,1-2H2;/q;+4
InChIKeyCVGIXGQGORUQAW-UHFFFAOYSA-N
MW109.93 g/mol
LogP-1.03
Rot. Bonds1

About ethane-1,2-diol;titanium(4+)

ethane-1,2-diol;titanium(4+) (PubChem CID 21124602) has the molecular formula C2H6O2Ti+4 and a molecular weight of 109.93 g/mol. Its IUPAC name is ethane-1,2-diol;titanium(4+).

Molecular Properties

Compound Nameethane-1,2-diol;titanium(4+)
PubChem CID21124602
Molecular FormulaC2H6O2Ti+4
Molecular Weight109.93 g/mol
Exact Mass109.98
IUPAC Nameethane-1,2-diol;titanium(4+)
SMILESOCCO.[Ti+4]
InChIInChI=1S/C2H6O2.Ti/c3-1-2-4;/h3-4H,1-2H2;/q;+4
InChIKeyCVGIXGQGORUQAW-UHFFFAOYSA-N
XLogP-1.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.93
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;titanium(4+)?
The IUPAC name of ethane-1,2-diol;titanium(4+) (CID 21124602) is ethane-1,2-diol;titanium(4+).
What is the SMILES notation for ethane-1,2-diol;titanium(4+)?
The canonical SMILES for ethane-1,2-diol;titanium(4+) is OCCO.[Ti+4].
What is the InChIKey of ethane-1,2-diol;titanium(4+)?
The InChIKey is CVGIXGQGORUQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.Ti/c3-1-2-4;/h3-4H,1-2H2;/q;+4.
What are the key properties of ethane-1,2-diol;titanium(4+)?
ethane-1,2-diol;titanium(4+) has a molecular weight of 109.93 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;titanium(4+) is sourced from PubChem (CID 21124602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).