methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium

C13H27O3Ti- — CID 5148204

IUPACmethanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCO.CO.CO.Cc1c(C)c(C)[c-](C)c1C.[Ti]
InChIInChI=1S/C10H15.3CH4O.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h1-5H3;3*2H,1H3;/q-1;;;;
InChIKeyQVTHEDHVDWHIFR-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.77
Rot. Bonds

About methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium

methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 5148204) has the molecular formula C13H27O3Ti- and a molecular weight of 279.22 g/mol. Its IUPAC name is methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Namemethanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID5148204
Molecular FormulaC13H27O3Ti-
Molecular Weight279.22 g/mol
Exact Mass279.14
IUPAC Namemethanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCO.CO.CO.Cc1c(C)c(C)[c-](C)c1C.[Ti]
InChIInChI=1S/C10H15.3CH4O.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h1-5H3;3*2H,1H3;/q-1;;;;
InChIKeyQVTHEDHVDWHIFR-UHFFFAOYSA-N
XLogP1.77
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.77
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;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium (CID 5148204) is methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium is CO.CO.CO.Cc1c(C)c(C)[c-](C)c1C.[Ti].
What is the InChIKey of methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is QVTHEDHVDWHIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.3CH4O.Ti/c1-6-7(2)9(4)10(5)8(6)3;3*1-2;/h1-5H3;3*2H,1H3;/q-1;;;;.
What are the key properties of methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium?
methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 279.22 g/mol, XLogP of 1.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 5148204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).