ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium

C15H29O2Ti- — CID 22186381

IUPACethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCCO.CCO.[CH2-]C1=C(C)C(C)=C(C)C1(C)C.[Ti]
InChIInChI=1S/C11H17.2C2H6O.Ti/c1-7-8(2)10(4)11(5,6)9(7)3;2*1-2-3;/h3H2,1-2,4-6H3;2*3H,2H2,1H3;/q-1;;;
InChIKeyCSCOBGFIOMZPSN-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.51
Rot. Bonds

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

ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium (PubChem CID 22186381) has the molecular formula C15H29O2Ti- and a molecular weight of 289.26 g/mol. Its IUPAC name is ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium.

Molecular Properties

Compound Nameethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
PubChem CID22186381
Molecular FormulaC15H29O2Ti-
Molecular Weight289.26 g/mol
Exact Mass289.17
IUPAC Nameethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium
SMILESCCO.CCO.[CH2-]C1=C(C)C(C)=C(C)C1(C)C.[Ti]
InChIInChI=1S/C11H17.2C2H6O.Ti/c1-7-8(2)10(4)11(5,6)9(7)3;2*1-2-3;/h3H2,1-2,4-6H3;2*3H,2H2,1H3;/q-1;;;
InChIKeyCSCOBGFIOMZPSN-UHFFFAOYSA-N
XLogP3.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.51
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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Related Compounds

CID 85357660
CID 85357660
(1,2,3,4,5-Pentamethylcyclopenta-2,4-dien-1-yl)methanol
CID 15202331
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium
CID 18458433
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
Ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 22676500
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+);chloride
CID 87885132
Methanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium;hydrochloride
CID 87885133
Carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
CID 87905664
Ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 88289663
Carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;zirconium(2+)
CID 88289664
Ethanol;hafnium;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene
CID 88290492

Frequently Asked Questions

What is the IUPAC name of ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The IUPAC name of ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium (CID 22186381) is ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium.
What is the SMILES notation for ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The canonical SMILES for ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium is CCO.CCO.[CH2-]C1=C(C)C(C)=C(C)C1(C)C.[Ti].
What is the InChIKey of ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
The InChIKey is CSCOBGFIOMZPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.2C2H6O.Ti/c1-7-8(2)10(4)11(5,6)9(7)3;2*1-2-3;/h3H2,1-2,4-6H3;2*3H,2H2,1H3;/q-1;;;.
What are the key properties of ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium?
ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium has a molecular weight of 289.26 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;1-methanidyl-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;titanium is sourced from PubChem (CID 22186381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).