ethanol;methanol;2-methylprop-2-enoic acid;titanium

C7H16O4Ti — CID 174721587

IUPACethanol;methanol;2-methylprop-2-enoic acid;titanium
SMILESC=C(C)C(=O)O.CCO.CO.[Ti]
InChIInChI=1S/C4H6O2.C2H6O.CH4O.Ti/c1-3(2)4(5)6;1-2-3;1-2;/h1H2,2H3,(H,5,6);3H,2H2,1H3;2H,1H3;
InChIKeyBJPZNDJCVKTJOQ-UHFFFAOYSA-N
MW212.07 g/mol
LogP0.25
Rot. Bonds1

About ethanol;methanol;2-methylprop-2-enoic acid;titanium

ethanol;methanol;2-methylprop-2-enoic acid;titanium (PubChem CID 174721587) has the molecular formula C7H16O4Ti and a molecular weight of 212.07 g/mol. Its IUPAC name is ethanol;methanol;2-methylprop-2-enoic acid;titanium.

Molecular Properties

Compound Nameethanol;methanol;2-methylprop-2-enoic acid;titanium
PubChem CID174721587
Molecular FormulaC7H16O4Ti
Molecular Weight212.07 g/mol
Exact Mass212.05
IUPAC Nameethanol;methanol;2-methylprop-2-enoic acid;titanium
SMILESC=C(C)C(=O)O.CCO.CO.[Ti]
InChIInChI=1S/C4H6O2.C2H6O.CH4O.Ti/c1-3(2)4(5)6;1-2-3;1-2;/h1H2,2H3,(H,5,6);3H,2H2,1H3;2H,1H3;
InChIKeyBJPZNDJCVKTJOQ-UHFFFAOYSA-N
XLogP0.25
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.07
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 173413432
CID 173413432
methanol;2-methylprop-2-enoic acid;propan-2-one
CID 174711674
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CID 18674562
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
aminomethanol;2-methylprop-2-enoic acid
CID 122684678
benzene;methanol;bis(2-methylprop-2-enoic acid)
CID 175511919
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767

Frequently Asked Questions

What is the IUPAC name of ethanol;methanol;2-methylprop-2-enoic acid;titanium?
The IUPAC name of ethanol;methanol;2-methylprop-2-enoic acid;titanium (CID 174721587) is ethanol;methanol;2-methylprop-2-enoic acid;titanium.
What is the SMILES notation for ethanol;methanol;2-methylprop-2-enoic acid;titanium?
The canonical SMILES for ethanol;methanol;2-methylprop-2-enoic acid;titanium is C=C(C)C(=O)O.CCO.CO.[Ti].
What is the InChIKey of ethanol;methanol;2-methylprop-2-enoic acid;titanium?
The InChIKey is BJPZNDJCVKTJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H6O.CH4O.Ti/c1-3(2)4(5)6;1-2-3;1-2;/h1H2,2H3,(H,5,6);3H,2H2,1H3;2H,1H3;.
What are the key properties of ethanol;methanol;2-methylprop-2-enoic acid;titanium?
ethanol;methanol;2-methylprop-2-enoic acid;titanium has a molecular weight of 212.07 g/mol, XLogP of 0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanol;2-methylprop-2-enoic acid;titanium is sourced from PubChem (CID 174721587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).