methanol;tris(octanoic acid);titanium

C25H52O7Ti — CID 160869796

IUPACmethanol;tris(octanoic acid);titanium
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCC(=O)O.CO.[Ti]
InChIInChI=1S/3C8H16O2.CH4O.Ti/c3*1-2-3-4-5-6-7-8(9)10;1-2;/h3*2-7H2,1H3,(H,9,10);2H,1H3;
InChIKeyHVORUOJGRSLAMG-UHFFFAOYSA-N
MW512.55 g/mol
LogP6.90
Rot. Bonds18

About methanol;tris(octanoic acid);titanium

methanol;tris(octanoic acid);titanium (PubChem CID 160869796) has the molecular formula C25H52O7Ti and a molecular weight of 512.55 g/mol. Its IUPAC name is methanol;tris(octanoic acid);titanium.

Molecular Properties

Compound Namemethanol;tris(octanoic acid);titanium
PubChem CID160869796
Molecular FormulaC25H52O7Ti
Molecular Weight512.55 g/mol
Exact Mass512.32
IUPAC Namemethanol;tris(octanoic acid);titanium
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCC(=O)O.CO.[Ti]
InChIInChI=1S/3C8H16O2.CH4O.Ti/c3*1-2-3-4-5-6-7-8(9)10;1-2;/h3*2-7H2,1H3,(H,9,10);2H,1H3;
InChIKeyHVORUOJGRSLAMG-UHFFFAOYSA-N
XLogP6.90
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.55
LogP ≤ 56.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

octadecanoic acid;titanium
CID 87082041
methanol;octadecanoic acid;zinc
CID 163303961
octadecanoic acid;titanium;trihydrate
CID 153488689
dodecanoic acid
CID 158187269
henicosane;tetracontanoic acid
CID 175935348
docosanoic acid;tetradecane
CID 157248197
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 methanol;tris(octanoic acid);titanium?
The IUPAC name of methanol;tris(octanoic acid);titanium (CID 160869796) is methanol;tris(octanoic acid);titanium.
What is the SMILES notation for methanol;tris(octanoic acid);titanium?
The canonical SMILES for methanol;tris(octanoic acid);titanium is CCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCC(=O)O.CO.[Ti].
What is the InChIKey of methanol;tris(octanoic acid);titanium?
The InChIKey is HVORUOJGRSLAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H16O2.CH4O.Ti/c3*1-2-3-4-5-6-7-8(9)10;1-2;/h3*2-7H2,1H3,(H,9,10);2H,1H3;.
What are the key properties of methanol;tris(octanoic acid);titanium?
methanol;tris(octanoic acid);titanium has a molecular weight of 512.55 g/mol, XLogP of 6.90, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;tris(octanoic acid);titanium is sourced from PubChem (CID 160869796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).