methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride

C12H24ClO2Ti- — CID 87885133

IUPACmethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.Cl.[Ti]
InChIInChI=1S/C10H15.2CH4O.ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;;/h1-5H3;2*2H,1H3;1H;/q-1;;;;
InChIKeyFBKNPGPERWKVHE-UHFFFAOYSA-N
MW283.64 g/mol
LogP2.75
Rot. Bonds

About methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride

methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride (PubChem CID 87885133) has the molecular formula C12H24ClO2Ti- and a molecular weight of 283.64 g/mol. Its IUPAC name is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride.

Molecular Properties

Compound Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride
PubChem CID87885133
Molecular FormulaC12H24ClO2Ti-
Molecular Weight283.64 g/mol
Exact Mass283.09
IUPAC Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.Cl.[Ti]
InChIInChI=1S/C10H15.2CH4O.ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;;/h1-5H3;2*2H,1H3;1H;/q-1;;;;
InChIKeyFBKNPGPERWKVHE-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.64
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

CID 85357660
CID 85357660
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 18458433
Carbanide;formic acid;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+)
CID 18781129
Hafnium;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;dichloride
CID 19422936
Methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium
CID 19958029
Ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 22186381
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 22480599
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 22568519
Carbanide;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(3+)
CID 22676465
Formaldehyde;methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87465567
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87657395
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
CID 87885132

Frequently Asked Questions

What is the IUPAC name of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride?
The IUPAC name of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride (CID 87885133) is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride.
What is the SMILES notation for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride?
The canonical SMILES for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride is CC1=[C-]C(C)(C)C(C)=C1C.CO.CO.Cl.[Ti].
What is the InChIKey of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride?
The InChIKey is FBKNPGPERWKVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CH4O.ClH.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;;/h1-5H3;2*2H,1H3;1H;/q-1;;;;.
What are the key properties of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride?
methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride has a molecular weight of 283.64 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride is sourced from PubChem (CID 87885133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).