2-methoxyethanol;prop-2-enoic acid;titanium

C6H12O4Ti — CID 22899396

IUPAC2-methoxyethanol;prop-2-enoic acid;titanium
SMILESC=CC(=O)O.COCCO.[Ti]
InChIInChI=1S/C3H8O2.C3H4O2.Ti/c1-5-3-2-4;1-2-3(4)5;/h4H,2-3H2,1H3;2H,1H2,(H,4,5);
InChIKeyWPPZLSLVXLHGDA-UHFFFAOYSA-N
MW196.02 g/mol
LogP-0.12
Rot. Bonds3

About 2-methoxyethanol;prop-2-enoic acid;titanium

2-methoxyethanol;prop-2-enoic acid;titanium (PubChem CID 22899396) has the molecular formula C6H12O4Ti and a molecular weight of 196.02 g/mol. Its IUPAC name is 2-methoxyethanol;prop-2-enoic acid;titanium.

Molecular Properties

Compound Name2-methoxyethanol;prop-2-enoic acid;titanium
PubChem CID22899396
Molecular FormulaC6H12O4Ti
Molecular Weight196.02 g/mol
Exact Mass196.02
IUPAC Name2-methoxyethanol;prop-2-enoic acid;titanium
SMILESC=CC(=O)O.COCCO.[Ti]
InChIInChI=1S/C3H8O2.C3H4O2.Ti/c1-5-3-2-4;1-2-3(4)5;/h4H,2-3H2,1H3;2H,1H2,(H,4,5);
InChIKeyWPPZLSLVXLHGDA-UHFFFAOYSA-N
XLogP-0.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.02
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethanol;hexakis(prop-2-enoic acid)
CID 161223084
tris(2-(2-hydroxyethoxy)ethanol);prop-2-enoic acid
CID 173161681
2-methoxyethanol;nonakis(prop-1-ene)
CID 173188725
2-methoxyethanol;tris(prop-1-ene)
CID 172995123
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88626214
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218
ethane-1,2-diol;tetrakis(prop-2-enoic acid)
CID 157215005
methoxymethane;prop-2-enoic acid
CID 22665045
ethane-1,2-diol;ethene;2-methoxyethanol;tetrakis(prop-1-ene)
CID 173186876
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;prop-2-enoic acid;titanium?
The IUPAC name of 2-methoxyethanol;prop-2-enoic acid;titanium (CID 22899396) is 2-methoxyethanol;prop-2-enoic acid;titanium.
What is the SMILES notation for 2-methoxyethanol;prop-2-enoic acid;titanium?
The canonical SMILES for 2-methoxyethanol;prop-2-enoic acid;titanium is C=CC(=O)O.COCCO.[Ti].
What is the InChIKey of 2-methoxyethanol;prop-2-enoic acid;titanium?
The InChIKey is WPPZLSLVXLHGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C3H4O2.Ti/c1-5-3-2-4;1-2-3(4)5;/h4H,2-3H2,1H3;2H,1H2,(H,4,5);.
What are the key properties of 2-methoxyethanol;prop-2-enoic acid;titanium?
2-methoxyethanol;prop-2-enoic acid;titanium has a molecular weight of 196.02 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;prop-2-enoic acid;titanium is sourced from PubChem (CID 22899396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).