octadecanoic acid;titanium

C18H36O2Ti — CID 87082041

IUPACoctadecanoic acid;titanium
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[Ti]
InChIInChI=1S/C18H36O2.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);
InChIKeyZKWSTMNRYXEVAB-UHFFFAOYSA-N
MW332.35 g/mol
LogP6.33
Rot. Bonds16

About octadecanoic acid;titanium

octadecanoic acid;titanium (PubChem CID 87082041) has the molecular formula C18H36O2Ti and a molecular weight of 332.35 g/mol. Its IUPAC name is octadecanoic acid;titanium.

Molecular Properties

Compound Nameoctadecanoic acid;titanium
PubChem CID87082041
Molecular FormulaC18H36O2Ti
Molecular Weight332.35 g/mol
Exact Mass332.22
IUPAC Nameoctadecanoic acid;titanium
SMILESCCCCCCCCCCCCCCCCCC(=O)O.[Ti]
InChIInChI=1S/C18H36O2.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);
InChIKeyZKWSTMNRYXEVAB-UHFFFAOYSA-N
XLogP6.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 56.33
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

octadecanoic acid;titanium;trihydrate
CID 153488689
methanol;tris(octanoic acid);titanium
CID 160869796
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
dodecanoic acid
CID 158187269
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of octadecanoic acid;titanium?
The IUPAC name of octadecanoic acid;titanium (CID 87082041) is octadecanoic acid;titanium.
What is the SMILES notation for octadecanoic acid;titanium?
The canonical SMILES for octadecanoic acid;titanium is CCCCCCCCCCCCCCCCCC(=O)O.[Ti].
What is the InChIKey of octadecanoic acid;titanium?
The InChIKey is ZKWSTMNRYXEVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.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);.
What are the key properties of octadecanoic acid;titanium?
octadecanoic acid;titanium has a molecular weight of 332.35 g/mol, XLogP of 6.33, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanoic acid;titanium is sourced from PubChem (CID 87082041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).