tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)

C21H42NSiTi+ — CID 23229458

IUPACtert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)
SMILESCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.[CH2-]/C(C)=C(\[CH2-])C.[Ti+4]
InChIInChI=1S/C15H32NSi.C6H10.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;1-5(2)6(3)4;/h10-14H,1-9H3;1,3H2,2,4H3;/q-1;-2;+4/b;6-5-;
InChIKeyNUHYYOSTGPVLRK-XRPAZMCKSA-N
MW384.53 g/mol
LogP7.28
Rot. Bonds2

About tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)

tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+) (PubChem CID 23229458) has the molecular formula C21H42NSiTi+ and a molecular weight of 384.53 g/mol. Its IUPAC name is tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)
PubChem CID23229458
Molecular FormulaC21H42NSiTi+
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Nametert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)
SMILESCC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.[CH2-]/C(C)=C(\[CH2-])C.[Ti+4]
InChIInChI=1S/C15H32NSi.C6H10.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;1-5(2)6(3)4;/h10-14H,1-9H3;1,3H2,2,4H3;/q-1;-2;+4/b;6-5-;
InChIKeyNUHYYOSTGPVLRK-XRPAZMCKSA-N
XLogP7.28
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 57.28
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 tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)?
The IUPAC name of tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+) (CID 23229458) is tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+).
What is the SMILES notation for tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)?
The canonical SMILES for tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+) is CC1C(C)C(C)C([Si](C)(C)[N-]C(C)(C)C)C1C.[CH2-]/C(C)=C(\[CH2-])C.[Ti+4].
What is the InChIKey of tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)?
The InChIKey is NUHYYOSTGPVLRK-XRPAZMCKSA-N. The full InChI is InChI=1S/C15H32NSi.C6H10.Ti/c1-10-11(2)13(4)14(12(10)3)17(8,9)16-15(5,6)7;1-5(2)6(3)4;/h10-14H,1-9H3;1,3H2,2,4H3;/q-1;-2;+4/b;6-5-;.
What are the key properties of tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)?
tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+) has a molecular weight of 384.53 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+) is sourced from PubChem (CID 23229458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).