octadecanoic acid;titanium;trihydrate

C18H42O5Ti — CID 153488689

IUPACoctadecanoic acid;titanium;trihydrate
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O.O.O.[Ti]
InChIInChI=1S/C18H36O2.3H2O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);3*1H2;
InChIKeyFXKDLIHZPKDQPM-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.86
Rot. Bonds16

About octadecanoic acid;titanium;trihydrate

octadecanoic acid;titanium;trihydrate (PubChem CID 153488689) has the molecular formula C18H42O5Ti and a molecular weight of 386.40 g/mol. Its IUPAC name is octadecanoic acid;titanium;trihydrate.

Molecular Properties

Compound Nameoctadecanoic acid;titanium;trihydrate
PubChem CID153488689
Molecular FormulaC18H42O5Ti
Molecular Weight386.40 g/mol
Exact Mass386.25
IUPAC Nameoctadecanoic acid;titanium;trihydrate
SMILESCCCCCCCCCCCCCCCCCC(=O)O.O.O.O.[Ti]
InChIInChI=1S/C18H36O2.3H2O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);3*1H2;
InChIKeyFXKDLIHZPKDQPM-UHFFFAOYSA-N
XLogP3.86
TPSA131.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cobalt;tetrakis(decanoic acid);titanium;tetrahydrate
CID 91844646
octadecanoic acid;hydrate
CID 86588300
octadecanoic acid;titanium
CID 87082041
bis(octanoic acid);tellane;hydrate
CID 175440468
CID 6335315
CID 6335315
CID 6328046
CID 6328046
methanol;tris(octanoic acid);titanium
CID 160869796
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
henicosane;tetracontanoic acid
CID 175935348
decanoic acid
CID 173247116
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of octadecanoic acid;titanium;trihydrate?
The IUPAC name of octadecanoic acid;titanium;trihydrate (CID 153488689) is octadecanoic acid;titanium;trihydrate.
What is the SMILES notation for octadecanoic acid;titanium;trihydrate?
The canonical SMILES for octadecanoic acid;titanium;trihydrate is CCCCCCCCCCCCCCCCCC(=O)O.O.O.O.[Ti].
What is the InChIKey of octadecanoic acid;titanium;trihydrate?
The InChIKey is FXKDLIHZPKDQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.3H2O.Ti/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h2-17H2,1H3,(H,19,20);3*1H2;.
What are the key properties of octadecanoic acid;titanium;trihydrate?
octadecanoic acid;titanium;trihydrate has a molecular weight of 386.40 g/mol, XLogP of 3.86, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanoic acid;titanium;trihydrate is sourced from PubChem (CID 153488689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).