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

C12H23O2Ti- — CID 18458433

IUPACmethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.[Ti]
InChIInChI=1S/C10H15.2CH4O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*2H,1H3;/q-1;;;
InChIKeyCLWCUDLOGBCCFD-UHFFFAOYSA-N
MW247.18 g/mol
LogP2.33
Rot. Bonds

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

methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 18458433) has the molecular formula C12H23O2Ti- and a molecular weight of 247.18 g/mol. Its IUPAC name is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID18458433
Molecular FormulaC12H23O2Ti-
Molecular Weight247.18 g/mol
Exact Mass247.12
IUPAC Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.[Ti]
InChIInChI=1S/C10H15.2CH4O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*2H,1H3;/q-1;;;
InChIKeyCLWCUDLOGBCCFD-UHFFFAOYSA-N
XLogP2.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium (CID 18458433) is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium is CC1=[C-]C(C)(C)C(C)=C1C.CO.CO.[Ti].
What is the InChIKey of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is CLWCUDLOGBCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CH4O.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*2H,1H3;/q-1;;;.
What are the key properties of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium?
methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 247.18 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 18458433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).