methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride

C12H23ClO2Ti — CID 87885132

IUPACmethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.[Cl-].[Ti+2]
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;;;;+2/p-1
InChIKeyQSWOKJWHUBGNIW-UHFFFAOYSA-M
MW282.63 g/mol
LogP-0.67
Rot. Bonds

About methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride

methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride (PubChem CID 87885132) has the molecular formula C12H23ClO2Ti and a molecular weight of 282.63 g/mol. Its IUPAC name is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride.

Molecular Properties

Compound Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
PubChem CID87885132
Molecular FormulaC12H23ClO2Ti
Molecular Weight282.63 g/mol
Exact Mass282.09
IUPAC Namemethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CO.CO.[Cl-].[Ti+2]
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;;;;+2/p-1
InChIKeyQSWOKJWHUBGNIW-UHFFFAOYSA-M
XLogP-0.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.63
LogP ≤ 5-0.67
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(2+);chloride?
The IUPAC name of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride (CID 87885132) is methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride.
What is the SMILES notation for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
The canonical SMILES for methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride is CC1=[C-]C(C)(C)C(C)=C1C.CO.CO.[Cl-].[Ti+2].
What is the InChIKey of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
The InChIKey is QSWOKJWHUBGNIW-UHFFFAOYSA-M. 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;;;;+2/p-1.
What are the key properties of methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride?
methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride has a molecular weight of 282.63 g/mol, XLogP of -0.67, 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(2+);chloride is sourced from PubChem (CID 87885132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).