ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene

C20H23Ti+ — CID 154453522

IUPACethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
SMILESCC=[Ti+2].Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C
InChIInChI=1S/C18H19.C2H4.Ti/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;1-2;/h5-10,17H,1-4H3;1H,2H3;/q-1;;+2
InChIKeyRSHKHSUKBQGMEW-UHFFFAOYSA-N
MW311.27 g/mol
LogP5.15
Rot. Bonds1

About ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene

ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene (PubChem CID 154453522) has the molecular formula C20H23Ti+ and a molecular weight of 311.27 g/mol. Its IUPAC name is ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene.

Molecular Properties

Compound Nameethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
PubChem CID154453522
Molecular FormulaC20H23Ti+
Molecular Weight311.27 g/mol
Exact Mass311.13
IUPAC Nameethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
SMILESCC=[Ti+2].Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C
InChIInChI=1S/C18H19.C2H4.Ti/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;1-2;/h5-10,17H,1-4H3;1H,2H3;/q-1;;+2
InChIKeyRSHKHSUKBQGMEW-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.27
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;zirconium(4+);dichloride
CID 159935458
ethene;hafnium;1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene;dichloride
CID 158688211
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
dimethylsilylidenetitanium(2+);1-(1H-inden-1-ylmethyl)-1H-indene;chloride
CID 87402290
1-(2,3,4-trimethylphenyl)-1H-indene
CID 21095865
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
1-[[2-(1H-inden-1-ylmethyl)-4,5-dimethylphenyl]methyl]-1H-indene
CID 167430736
1H-inden-1-amine
CID 14298803
1H-inden-1-yl(trimethyl)plumbane
CID 23269464
bis(1H-inden-1-yl)-dimethylsilane
CID 599429
(1S,2R)-2-methyl-1,2-dihydronaphthalene-1-carbaldehyde
CID 10749718

Frequently Asked Questions

What is the IUPAC name of ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The IUPAC name of ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene (CID 154453522) is ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene.
What is the SMILES notation for ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The canonical SMILES for ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene is CC=[Ti+2].Cc1c(C)c(C)[c-](C2C=Cc3ccccc32)c1C.
What is the InChIKey of ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
The InChIKey is RSHKHSUKBQGMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19.C2H4.Ti/c1-11-12(2)14(4)18(13(11)3)17-10-9-15-7-5-6-8-16(15)17;1-2;/h5-10,17H,1-4H3;1H,2H3;/q-1;;+2.
What are the key properties of ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene?
ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene has a molecular weight of 311.27 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenetitanium(2+);1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene is sourced from PubChem (CID 154453522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).