ethene;propan-2-one;titanium

C5H10OTi — CID 175481260

IUPACethene;propan-2-one;titanium
SMILESC=C.CC(C)=O.[Ti]
InChIInChI=1S/C3H6O.C2H4.Ti/c1-3(2)4;1-2;/h1-2H3;1-2H2;
InChIKeyNZKPATUVAYRJJQ-UHFFFAOYSA-N
MW134.00 g/mol
LogP1.39
Rot. Bonds

About ethene;propan-2-one;titanium

ethene;propan-2-one;titanium (PubChem CID 175481260) has the molecular formula C5H10OTi and a molecular weight of 134.00 g/mol. Its IUPAC name is ethene;propan-2-one;titanium.

Molecular Properties

Compound Nameethene;propan-2-one;titanium
PubChem CID175481260
Molecular FormulaC5H10OTi
Molecular Weight134.00 g/mol
Exact Mass134.02
IUPAC Nameethene;propan-2-one;titanium
SMILESC=C.CC(C)=O.[Ti]
InChIInChI=1S/C3H6O.C2H4.Ti/c1-3(2)4;1-2;/h1-2H3;1-2H2;
InChIKeyNZKPATUVAYRJJQ-UHFFFAOYSA-N
XLogP1.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.00
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;propan-2-one;titanium?
The IUPAC name of ethene;propan-2-one;titanium (CID 175481260) is ethene;propan-2-one;titanium.
What is the SMILES notation for ethene;propan-2-one;titanium?
The canonical SMILES for ethene;propan-2-one;titanium is C=C.CC(C)=O.[Ti].
What is the InChIKey of ethene;propan-2-one;titanium?
The InChIKey is NZKPATUVAYRJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H4.Ti/c1-3(2)4;1-2;/h1-2H3;1-2H2;.
What are the key properties of ethene;propan-2-one;titanium?
ethene;propan-2-one;titanium has a molecular weight of 134.00 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;propan-2-one;titanium is sourced from PubChem (CID 175481260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).