cyclohexene;dioxotitanium;ethene

C8H14O2Ti — CID 174573480

IUPACcyclohexene;dioxotitanium;ethene
SMILESC1=CCCCC1.C=C.O=[Ti]=O
InChIInChI=1S/C6H10.C2H4.2O.Ti/c1-2-4-6-5-3-1;1-2;;;/h1-2H,3-6H2;1-2H2;;;
InChIKeyLGCXGKKKRGMJQP-UHFFFAOYSA-N
MW190.06 g/mol
LogP2.68
Rot. Bonds

About cyclohexene;dioxotitanium;ethene

cyclohexene;dioxotitanium;ethene (PubChem CID 174573480) has the molecular formula C8H14O2Ti and a molecular weight of 190.06 g/mol. Its IUPAC name is cyclohexene;dioxotitanium;ethene.

Molecular Properties

Compound Namecyclohexene;dioxotitanium;ethene
PubChem CID174573480
Molecular FormulaC8H14O2Ti
Molecular Weight190.06 g/mol
Exact Mass190.05
IUPAC Namecyclohexene;dioxotitanium;ethene
SMILESC1=CCCCC1.C=C.O=[Ti]=O
InChIInChI=1S/C6H10.C2H4.2O.Ti/c1-2-4-6-5-3-1;1-2;;;/h1-2H,3-6H2;1-2H2;;;
InChIKeyLGCXGKKKRGMJQP-UHFFFAOYSA-N
XLogP2.68
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexene;dioxotitanium;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexene;dioxotitanium;ethene?
The IUPAC name of cyclohexene;dioxotitanium;ethene (CID 174573480) is cyclohexene;dioxotitanium;ethene.
What is the SMILES notation for cyclohexene;dioxotitanium;ethene?
The canonical SMILES for cyclohexene;dioxotitanium;ethene is C1=CCCCC1.C=C.O=[Ti]=O.
What is the InChIKey of cyclohexene;dioxotitanium;ethene?
The InChIKey is LGCXGKKKRGMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C2H4.2O.Ti/c1-2-4-6-5-3-1;1-2;;;/h1-2H,3-6H2;1-2H2;;;.
What are the key properties of cyclohexene;dioxotitanium;ethene?
cyclohexene;dioxotitanium;ethene has a molecular weight of 190.06 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;dioxotitanium;ethene is sourced from PubChem (CID 174573480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).