1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)

C22H32Ti+2 — CID 23229330

IUPAC1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)
SMILESC1=CC2CCC(CCC3CCC4C=CC=CC43)C2C=C1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C20H26.2CH3.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-8,15-20H,9-14H2;2*1H3;/q;2*-1;+4
InChIKeyJCJHMJGANALTHB-UHFFFAOYSA-N
MW344.37 g/mol
LogP6.20
Rot. Bonds3

About 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)

1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+) (PubChem CID 23229330) has the molecular formula C22H32Ti+2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+).

Molecular Properties

Compound Name1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)
PubChem CID23229330
Molecular FormulaC22H32Ti+2
Molecular Weight344.37 g/mol
Exact Mass344.20
IUPAC Name1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)
SMILESC1=CC2CCC(CCC3CCC4C=CC=CC43)C2C=C1.[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C20H26.2CH3.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-8,15-20H,9-14H2;2*1H3;/q;2*-1;+4
InChIKeyJCJHMJGANALTHB-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 56.20
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-[4-(6-methylcyclohexa-2,4-dien-1-yl)butyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 142578265
1-[3-(6-methylcyclohexa-2,4-dien-1-yl)butyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 140739572
carbanide;ethenyl-dimethyl-(2,3,4,5-tetramethylcyclopentyl)silane;methane;1-propyl-2,3,3a,7a-tetrahydro-1H-indene;zirconium(4+)
CID 162271881
(1R,7aR)-1-[(4-ethyl-2,3,5,6-tetrafluorophenyl)methyl]-2,3,3a,7a-tetrahydro-1H-indene
CID 176591706
2,3,3a,7a-tetrahydro-1H-inden-1-yl(dimethyl)phosphane
CID 59930608
1-[4-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)heptan-4-yl]-2,3,3a,7a-tetrahydro-1H-indene
CID 58048969
lithium;1-methoxy-2,3,3a,7a-tetrahydro-1H-indene;propane
CID 162289523
[(1S)-2,3,3a,7a-tetrahydro-1H-inden-1-yl]-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297833
1-[2-(2,3,3a,7a-tetrahydro-1H-inden-2-id-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-inden-2-ide;carbanide;zirconium(3+)
CID 59039635
1-bromo-2-ethyl-2,3,3a,7a-tetrahydro-1H-indene
CID 91609327
1-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)pyrrolidine
CID 59964096
lithium;carbanide;dichlorozirconium(2+);methane;bis(1-methyl-2,3,3a,7a-tetrahydro-1H-indene);bis(1,2,3,4,5-pentamethylcyclopentane);trichlorozirconium
CID 162272221

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)?
The IUPAC name of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+) (CID 23229330) is 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+).
What is the SMILES notation for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)?
The canonical SMILES for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+) is C1=CC2CCC(CCC3CCC4C=CC=CC43)C2C=C1.[CH3-].[CH3-].[Ti+4].
What is the InChIKey of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)?
The InChIKey is JCJHMJGANALTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.2CH3.Ti/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-8,15-20H,9-14H2;2*1H3;/q;2*-1;+4.
What are the key properties of 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+)?
1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+) has a molecular weight of 344.37 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)ethyl]-2,3,3a,7a-tetrahydro-1H-indene;carbanide;titanium(4+) is sourced from PubChem (CID 23229330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).