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

C18H34SiTi — CID 173302927

IUPACcarbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)
SMILESCC[Si](C)(C)CC1C(C)=[C-]C2=C1CCCC2.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C15H25Si.3CH3.Ti/c1-5-16(3,4)11-15-12(2)10-13-8-6-7-9-14(13)15;;;;/h15H,5-9,11H2,1-4H3;3*1H3;/q4*-1;+4
InChIKeyZQXJKGPKWNMGOO-UHFFFAOYSA-N
MW326.42 g/mol
LogP6.31
Rot. Bonds3

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

carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+) (PubChem CID 173302927) has the molecular formula C18H34SiTi and a molecular weight of 326.42 g/mol. Its IUPAC name is carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+).

Molecular Properties

Compound Namecarbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)
PubChem CID173302927
Molecular FormulaC18H34SiTi
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Namecarbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)
SMILESCC[Si](C)(C)CC1C(C)=[C-]C2=C1CCCC2.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C15H25Si.3CH3.Ti/c1-5-16(3,4)11-15-12(2)10-13-8-6-7-9-14(13)15;;;;/h15H,5-9,11H2,1-4H3;3*1H3;/q4*-1;+4
InChIKeyZQXJKGPKWNMGOO-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.31
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'}

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Frequently Asked Questions

What is the IUPAC name of carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)?
The IUPAC name of carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+) (CID 173302927) is carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+).
What is the SMILES notation for carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)?
The canonical SMILES for carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+) is CC[Si](C)(C)CC1C(C)=[C-]C2=C1CCCC2.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)?
The InChIKey is ZQXJKGPKWNMGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Si.3CH3.Ti/c1-5-16(3,4)11-15-12(2)10-13-8-6-7-9-14(13)15;;;;/h15H,5-9,11H2,1-4H3;3*1H3;/q4*-1;+4.
What are the key properties of carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+)?
carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+) has a molecular weight of 326.42 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;ethyl-dimethyl-[(2-methyl-1,3,4,5,6,7-hexahydroinden-3-id-1-yl)methyl]silane;titanium(4+) is sourced from PubChem (CID 173302927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).