(2-hydroxyacetyl) octanoate;titanium

C10H18O4Ti — CID 88697919

IUPAC(2-hydroxyacetyl) octanoate;titanium
SMILESCCCCCCCC(=O)OC(=O)CO.[Ti]
InChIInChI=1S/C10H18O4.Ti/c1-2-3-4-5-6-7-9(12)14-10(13)8-11;/h11H,2-8H2,1H3;
InChIKeySTTYWYTWBLISRG-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.41
Rot. Bonds7

About (2-hydroxyacetyl) octanoate;titanium

(2-hydroxyacetyl) octanoate;titanium (PubChem CID 88697919) has the molecular formula C10H18O4Ti and a molecular weight of 250.12 g/mol. Its IUPAC name is (2-hydroxyacetyl) octanoate;titanium.

Molecular Properties

Compound Name(2-hydroxyacetyl) octanoate;titanium
PubChem CID88697919
Molecular FormulaC10H18O4Ti
Molecular Weight250.12 g/mol
Exact Mass250.07
IUPAC Name(2-hydroxyacetyl) octanoate;titanium
SMILESCCCCCCCC(=O)OC(=O)CO.[Ti]
InChIInChI=1S/C10H18O4.Ti/c1-2-3-4-5-6-7-9(12)14-10(13)8-11;/h11H,2-8H2,1H3;
InChIKeySTTYWYTWBLISRG-UHFFFAOYSA-N
XLogP1.41
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2-hydroxyacetyl) octanoate;titanium 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

potassium (2-hydroxyacetyl) dodecanoate
CID 21428552
dodecanoyl dodecanoate;ethanol
CID 157135932
henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
barium(2+);hydride;tetradecanoyl octadecanoate
CID 173487344
lithium;hydride;octadecanoyl octadecanoate
CID 173213572
alumane;tetradecanoyl tetradecanoate;zinc
CID 173056587

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyacetyl) octanoate;titanium?
The IUPAC name of (2-hydroxyacetyl) octanoate;titanium (CID 88697919) is (2-hydroxyacetyl) octanoate;titanium.
What is the SMILES notation for (2-hydroxyacetyl) octanoate;titanium?
The canonical SMILES for (2-hydroxyacetyl) octanoate;titanium is CCCCCCCC(=O)OC(=O)CO.[Ti].
What is the InChIKey of (2-hydroxyacetyl) octanoate;titanium?
The InChIKey is STTYWYTWBLISRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.Ti/c1-2-3-4-5-6-7-9(12)14-10(13)8-11;/h11H,2-8H2,1H3;.
What are the key properties of (2-hydroxyacetyl) octanoate;titanium?
(2-hydroxyacetyl) octanoate;titanium has a molecular weight of 250.12 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyacetyl) octanoate;titanium is sourced from PubChem (CID 88697919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).