ethanol;oxotitanium

C4H12O3Ti — CID 86198099

IUPACethanol;oxotitanium
SMILESCCO.CCO.O=[Ti]
InChIInChI=1S/2C2H6O.O.Ti/c2*1-2-3;;/h2*3H,2H2,1H3;;
InChIKeyCXXUXBIUELGRDK-UHFFFAOYSA-N
MW156.00 g/mol
LogP-0.12
Rot. Bonds

About ethanol;oxotitanium

ethanol;oxotitanium (PubChem CID 86198099) has the molecular formula C4H12O3Ti and a molecular weight of 156.00 g/mol. Its IUPAC name is ethanol;oxotitanium.

Molecular Properties

Compound Nameethanol;oxotitanium
PubChem CID86198099
Molecular FormulaC4H12O3Ti
Molecular Weight156.00 g/mol
Exact Mass156.03
IUPAC Nameethanol;oxotitanium
SMILESCCO.CCO.O=[Ti]
InChIInChI=1S/2C2H6O.O.Ti/c2*1-2-3;;/h2*3H,2H2,1H3;;
InChIKeyCXXUXBIUELGRDK-UHFFFAOYSA-N
XLogP-0.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.00
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;oxotitanium?
The IUPAC name of ethanol;oxotitanium (CID 86198099) is ethanol;oxotitanium.
What is the SMILES notation for ethanol;oxotitanium?
The canonical SMILES for ethanol;oxotitanium is CCO.CCO.O=[Ti].
What is the InChIKey of ethanol;oxotitanium?
The InChIKey is CXXUXBIUELGRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H6O.O.Ti/c2*1-2-3;;/h2*3H,2H2,1H3;;.
What are the key properties of ethanol;oxotitanium?
ethanol;oxotitanium has a molecular weight of 156.00 g/mol, XLogP of -0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxotitanium is sourced from PubChem (CID 86198099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).