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

C12H25O3Ti- — CID 19958029

IUPACmethanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)C(C)=C1C.CO.CO.CO.[Ti]
InChIInChI=1S/C9H13.3CH4O.Ti/c1-6-5-7(2)9(4)8(6)3;3*1-2;/h6H,1-4H3;3*2H,1H3;/q-1;;;;
InChIKeyYHPATOGITFJYRD-UHFFFAOYSA-N
MW265.20 g/mol
LogP1.54
Rot. Bonds

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

methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium (PubChem CID 19958029) has the molecular formula C12H25O3Ti- and a molecular weight of 265.20 g/mol. Its IUPAC name is methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Namemethanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium
PubChem CID19958029
Molecular FormulaC12H25O3Ti-
Molecular Weight265.20 g/mol
Exact Mass265.13
IUPAC Namemethanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium
SMILESCC1=[C-]C(C)C(C)=C1C.CO.CO.CO.[Ti]
InChIInChI=1S/C9H13.3CH4O.Ti/c1-6-5-7(2)9(4)8(6)3;3*1-2;/h6H,1-4H3;3*2H,1H3;/q-1;;;;
InChIKeyYHPATOGITFJYRD-UHFFFAOYSA-N
XLogP1.54
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.20
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-tetramethylcyclopenta-1,3-diene;titanium?
The IUPAC name of methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium (CID 19958029) is methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium is CC1=[C-]C(C)C(C)=C1C.CO.CO.CO.[Ti].
What is the InChIKey of methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium?
The InChIKey is YHPATOGITFJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.3CH4O.Ti/c1-6-5-7(2)9(4)8(6)3;3*1-2;/h6H,1-4H3;3*2H,1H3;/q-1;;;;.
What are the key properties of methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium?
methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium has a molecular weight of 265.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 19958029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).