carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide

C17H37Cl2NSiTi-2 — CID 58997878

IUPACcarbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide
SMILESCCC(C)(C)[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C16H34NSi.CH3.2ClH.Ti/c1-10-16(6,7)17-18(8,9)15-13(4)11(2)12(3)14(15)5;;;;/h11-15H,10H2,1-9H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyQMGZFVPCSWGTFJ-UHFFFAOYSA-L
MW402.35 g/mol
LogP7.51
Rot. Bonds4

About carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide

carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide (PubChem CID 58997878) has the molecular formula C17H37Cl2NSiTi-2 and a molecular weight of 402.35 g/mol. Its IUPAC name is carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide.

Molecular Properties

Compound Namecarbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide
PubChem CID58997878
Molecular FormulaC17H37Cl2NSiTi-2
Molecular Weight402.35 g/mol
Exact Mass401.16
IUPAC Namecarbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide
SMILESCCC(C)(C)[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Ti]Cl.[CH3-]
InChIInChI=1S/C16H34NSi.CH3.2ClH.Ti/c1-10-16(6,7)17-18(8,9)15-13(4)11(2)12(3)14(15)5;;;;/h11-15H,10H2,1-9H3;1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyQMGZFVPCSWGTFJ-UHFFFAOYSA-L
XLogP7.51
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.35
LogP ≤ 57.51
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;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide?
The IUPAC name of carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide (CID 58997878) is carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide.
What is the SMILES notation for carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide?
The canonical SMILES for carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide is CCC(C)(C)[N-][Si](C)(C)C1C(C)C(C)C(C)C1C.Cl[Ti]Cl.[CH3-].
What is the InChIKey of carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide?
The InChIKey is QMGZFVPCSWGTFJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H34NSi.CH3.2ClH.Ti/c1-10-16(6,7)17-18(8,9)15-13(4)11(2)12(3)14(15)5;;;;/h11-15H,10H2,1-9H3;1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide?
carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide has a molecular weight of 402.35 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichlorotitanium;[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]-(2-methylbutan-2-yl)azanide is sourced from PubChem (CID 58997878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).