acetic acid;titanium;hydrate

C8H18O9Ti — CID 155783844

IUPACacetic acid;titanium;hydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Ti]
InChIInChI=1S/4C2H4O2.H2O.Ti/c4*1-2(3)4;;/h4*1H3,(H,3,4);1H2;
InChIKeyDBIBHLDYJGMWPK-UHFFFAOYSA-N
MW306.09 g/mol
LogP-0.46
Rot. Bonds

About acetic acid;titanium;hydrate

acetic acid;titanium;hydrate (PubChem CID 155783844) has the molecular formula C8H18O9Ti and a molecular weight of 306.09 g/mol. Its IUPAC name is acetic acid;titanium;hydrate.

Molecular Properties

Compound Nameacetic acid;titanium;hydrate
PubChem CID155783844
Molecular FormulaC8H18O9Ti
Molecular Weight306.09 g/mol
Exact Mass306.04
IUPAC Nameacetic acid;titanium;hydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Ti]
InChIInChI=1S/4C2H4O2.H2O.Ti/c4*1-2(3)4;;/h4*1H3,(H,3,4);1H2;
InChIKeyDBIBHLDYJGMWPK-UHFFFAOYSA-N
XLogP-0.46
TPSA180.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.09
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze acetic acid;titanium;hydrate 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

acetic acid;decahydrate
CID 163997764
acetic acid;gadolinium;hexahydrate
CID 174991979
acetic acid;yttrium;pentahydrate
CID 172997379
acetic acid;manganese;tetrahydrate
CID 178069783
acetic acid;chromium;tetrahydrate
CID 173392510
acetic acid;hydrate;hydrobromide
CID 88815533
CID 173007307
CID 173007307
acetic acid;terbium;dihydrate
CID 133188352
acetic acid;iron;hexahydrate
CID 171714614
acetic acid;zinc;trihydrate
CID 173017451
acetic acid;copper;tetrahydrate
CID 174987163
acetic acid;copper;dihydrate
CID 172826856

Frequently Asked Questions

What is the IUPAC name of acetic acid;titanium;hydrate?
The IUPAC name of acetic acid;titanium;hydrate (CID 155783844) is acetic acid;titanium;hydrate.
What is the SMILES notation for acetic acid;titanium;hydrate?
The canonical SMILES for acetic acid;titanium;hydrate is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Ti].
What is the InChIKey of acetic acid;titanium;hydrate?
The InChIKey is DBIBHLDYJGMWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.H2O.Ti/c4*1-2(3)4;;/h4*1H3,(H,3,4);1H2;.
What are the key properties of acetic acid;titanium;hydrate?
acetic acid;titanium;hydrate has a molecular weight of 306.09 g/mol, XLogP of -0.46, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;titanium;hydrate is sourced from PubChem (CID 155783844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).