2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)

C19H26Ti — CID 151210146

IUPAC2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
SMILESC1=CCC2CC[CH-]C2=C1.Cc1c(C)c(C)[c-](C)c1C.[Ti+2]
InChIInChI=1S/C10H15.C9H11.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-2-5-9-7-3-6-8(9)4-1;/h1-5H3;1-2,4,6,9H,3,5,7H2;/q2*-1;+2
InChIKeyNKCIEZAWNVEDLL-UHFFFAOYSA-N
MW302.28 g/mol
LogP5.43
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)

2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+) (PubChem CID 151210146) has the molecular formula C19H26Ti and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+).

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
PubChem CID151210146
Molecular FormulaC19H26Ti
Molecular Weight302.28 g/mol
Exact Mass302.15
IUPAC Name2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)
SMILESC1=CCC2CC[CH-]C2=C1.Cc1c(C)c(C)[c-](C)c1C.[Ti+2]
InChIInChI=1S/C10H15.C9H11.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-2-5-9-7-3-6-8(9)4-1;/h1-5H3;1-2,4,6,9H,3,5,7H2;/q2*-1;+2
InChIKeyNKCIEZAWNVEDLL-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.28
LogP ≤ 55.43
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

bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);zirconium(4+);dibromide
CID 159694847
zinc;2,3,3a,4-tetrahydro-1H-inden-1-ide;dichloride
CID 172750129
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);carbanide;silylidenezirconium
CID 173216117
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);ethane;silylidenetitanium;dihydrochloride
CID 173213166
CID 172847750
CID 172847750
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);1,1-dichloropropan-2-ylidenetitanium(2+)
CID 151071578
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);benzene;carbanide;germylidenezirconium;dihydrochloride
CID 173283505
CID 172999118
CID 172999118
bis(2,3,3a,4-tetrahydro-1H-inden-1-ide);4-phenylbuta-1,3-dienylbenzene;zirconium(2+)
CID 174403588
CID 172710526
CID 172710526
CID 173097962
CID 173097962
2,3,3a,4-tetrahydro-1H-inden-1-ide;(2-methyl-3H-inden-3-id-1-yl)-phenylphosphane;zirconium(2+)
CID 87830426

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+) (CID 151210146) is 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+).
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+) is C1=CCC2CC[CH-]C2=C1.Cc1c(C)c(C)[c-](C)c1C.[Ti+2].
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
The InChIKey is NKCIEZAWNVEDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C9H11.Ti/c1-6-7(2)9(4)10(5)8(6)3;1-2-5-9-7-3-6-8(9)4-1;/h1-5H3;1-2,4,6,9H,3,5,7H2;/q2*-1;+2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+)?
2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+) has a molecular weight of 302.28 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-inden-1-ide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium(2+) is sourced from PubChem (CID 151210146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).