ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)

C36H46SiTi — CID 173302821

IUPACethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)
SMILESCC[Si](C)(C)CC1=[C-]C2=C(CCCC2)C1C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+4]
InChIInChI=1S/C15H25Si.3C7H7.Ti/c1-5-16(3,4)11-14-10-13-8-6-7-9-15(13)12(14)2;3*1-7-5-3-2-4-6-7;/h12H,5-9,11H2,1-4H3;3*2-6H,1H2;/q4*-1;+4
InChIKeyDMULVGXDUXHXLL-UHFFFAOYSA-N
MW554.72 g/mol
LogP10.57
Rot. Bonds3

About ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)

ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+) (PubChem CID 173302821) has the molecular formula C36H46SiTi and a molecular weight of 554.72 g/mol. Its IUPAC name is ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+).

Molecular Properties

Compound Nameethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)
PubChem CID173302821
Molecular FormulaC36H46SiTi
Molecular Weight554.72 g/mol
Exact Mass554.28
IUPAC Nameethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)
SMILESCC[Si](C)(C)CC1=[C-]C2=C(CCCC2)C1C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+4]
InChIInChI=1S/C15H25Si.3C7H7.Ti/c1-5-16(3,4)11-14-10-13-8-6-7-9-15(13)12(14)2;3*1-7-5-3-2-4-6-7;/h12H,5-9,11H2,1-4H3;3*2-6H,1H2;/q4*-1;+4
InChIKeyDMULVGXDUXHXLL-UHFFFAOYSA-N
XLogP10.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.72
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)?
The IUPAC name of ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+) (CID 173302821) is ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+).
What is the SMILES notation for ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)?
The canonical SMILES for ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+) is CC[Si](C)(C)CC1=[C-]C2=C(CCCC2)C1C.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Ti+4].
What is the InChIKey of ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)?
The InChIKey is DMULVGXDUXHXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Si.3C7H7.Ti/c1-5-16(3,4)11-14-10-13-8-6-7-9-15(13)12(14)2;3*1-7-5-3-2-4-6-7;/h12H,5-9,11H2,1-4H3;3*2-6H,1H2;/q4*-1;+4.
What are the key properties of ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+)?
ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+) has a molecular weight of 554.72 g/mol, XLogP of 10.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[(1-methyl-1,3,4,5,6,7-hexahydroinden-3-id-2-yl)methyl]silane;methanidylbenzene;titanium(4+) is sourced from PubChem (CID 173302821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).