ethanol;titanium

C6H18O3Ti — CID 25200198

IUPACethanol;titanium
SMILESCCO.CCO.CCO.[Ti]
InChIInChI=1S/3C2H6O.Ti/c3*1-2-3;/h3*3H,2H2,1H3;
InChIKeyNRHMQDVIKPCCRT-UHFFFAOYSA-N
MW186.07 g/mol
LogP-0.01
Rot. Bonds

About ethanol;titanium

ethanol;titanium (PubChem CID 25200198) has the molecular formula C6H18O3Ti and a molecular weight of 186.07 g/mol. Its IUPAC name is ethanol;titanium.

Molecular Properties

Compound Nameethanol;titanium
PubChem CID25200198
Molecular FormulaC6H18O3Ti
Molecular Weight186.07 g/mol
Exact Mass186.07
IUPAC Nameethanol;titanium
SMILESCCO.CCO.CCO.[Ti]
InChIInChI=1S/3C2H6O.Ti/c3*1-2-3;/h3*3H,2H2,1H3;
InChIKeyNRHMQDVIKPCCRT-UHFFFAOYSA-N
XLogP-0.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;titanium?
The IUPAC name of ethanol;titanium (CID 25200198) is ethanol;titanium.
What is the SMILES notation for ethanol;titanium?
The canonical SMILES for ethanol;titanium is CCO.CCO.CCO.[Ti].
What is the InChIKey of ethanol;titanium?
The InChIKey is NRHMQDVIKPCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6O.Ti/c3*1-2-3;/h3*3H,2H2,1H3;.
What are the key properties of ethanol;titanium?
ethanol;titanium has a molecular weight of 186.07 g/mol, XLogP of -0.01, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;titanium is sourced from PubChem (CID 25200198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).