formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)

C22H34O2Ti — CID 87168157

IUPACformaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Ti+2]
InChIInChI=1S/2C10H15.2CH2O.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h2*1-5H3;2*1H2;/q2*-1;;;+2
InChIKeyUUYQLNIFBCLKAK-UHFFFAOYSA-N
MW378.38 g/mol
LogP5.85
Rot. Bonds

About formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)

formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) (PubChem CID 87168157) has the molecular formula C22H34O2Ti and a molecular weight of 378.38 g/mol. Its IUPAC name is formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+).

Molecular Properties

Compound Nameformaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
PubChem CID87168157
Molecular FormulaC22H34O2Ti
Molecular Weight378.38 g/mol
Exact Mass378.20
IUPAC Nameformaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Ti+2]
InChIInChI=1S/2C10H15.2CH2O.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h2*1-5H3;2*1H2;/q2*-1;;;+2
InChIKeyUUYQLNIFBCLKAK-UHFFFAOYSA-N
XLogP5.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) 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 formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
The IUPAC name of formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) (CID 87168157) is formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+).
What is the SMILES notation for formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
The canonical SMILES for formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) is C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.CC1=[C-]C(C)(C)C(C)=C1C.[Ti+2].
What is the InChIKey of formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
The InChIKey is UUYQLNIFBCLKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2CH2O.Ti/c2*1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h2*1-5H3;2*1H2;/q2*-1;;;+2.
What are the key properties of formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+)?
formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) has a molecular weight of 378.38 g/mol, XLogP of 5.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);titanium(2+) is sourced from PubChem (CID 87168157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).