carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)

C15H30O2Ti — CID 87905664

IUPACcarbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CCO.CCO.[CH3-].[Ti+2]
InChIInChI=1S/C10H15.2C2H6O.CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2-3;;/h1-5H3;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2
InChIKeyGCKDMLYRMLOYLY-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.56
Rot. Bonds

About carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)

carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 87905664) has the molecular formula C15H30O2Ti and a molecular weight of 290.27 g/mol. Its IUPAC name is carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Namecarbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID87905664
Molecular FormulaC15H30O2Ti
Molecular Weight290.27 g/mol
Exact Mass290.17
IUPAC Namecarbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
SMILESCC1=[C-]C(C)(C)C(C)=C1C.CCO.CCO.[CH3-].[Ti+2]
InChIInChI=1S/C10H15.2C2H6O.CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2-3;;/h1-5H3;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2
InChIKeyGCKDMLYRMLOYLY-UHFFFAOYSA-N
XLogP3.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.56
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 carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+) (CID 87905664) is carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+) is CC1=[C-]C(C)(C)C(C)=C1C.CCO.CCO.[CH3-].[Ti+2].
What is the InChIKey of carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is GCKDMLYRMLOYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2C2H6O.CH3.Ti/c1-7-6-10(4,5)9(3)8(7)2;2*1-2-3;;/h1-5H3;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2.
What are the key properties of carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 290.27 g/mol, XLogP of 3.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethanol;1,2,3,5,5-pentamethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 87905664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).