CID 10028520

C22H37Cl2NSi2Ti+2 — CID 10028520

IUPAC—
SMILESCN1CCC([C]2[CH][CH][CH][CH]2)CC1.C[Si](C)(C)[C]1[CH][CH][C]([Si](C)(C)C)[CH]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C11H16N.C11H21Si2.2ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-12(2,3)10-7-8-11(9-10)13(4,5)6;;;/h2-5,11H,6-9H2,1H3;7-9H,1-6H3;2*1H;/q;;;;+4/p-2
InChIKeyZLSXGHMPVQBYGQ-UHFFFAOYSA-L
MW490.49 g/mol
LogP-0.74
Rot. Bonds3

About CID 10028520

CID 10028520 (PubChem CID 10028520) has the molecular formula C22H37Cl2NSi2Ti+2 and a molecular weight of 490.49 g/mol.

Molecular Properties

Compound NameCID 10028520
PubChem CID10028520
Molecular FormulaC22H37Cl2NSi2Ti+2
Molecular Weight490.49 g/mol
Exact Mass489.13
IUPAC Name—
SMILESCN1CCC([C]2[CH][CH][CH][CH]2)CC1.C[Si](C)(C)[C]1[CH][CH][C]([Si](C)(C)C)[CH]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C11H16N.C11H21Si2.2ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-12(2,3)10-7-8-11(9-10)13(4,5)6;;;/h2-5,11H,6-9H2,1H3;7-9H,1-6H3;2*1H;/q;;;;+4/p-2
InChIKeyZLSXGHMPVQBYGQ-UHFFFAOYSA-L
XLogP-0.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10028520?
The IUPAC name of CID 10028520 (CID 10028520) is not available.
What is the SMILES notation for CID 10028520?
The canonical SMILES for CID 10028520 is CN1CCC([C]2[CH][CH][CH][CH]2)CC1.C[Si](C)(C)[C]1[CH][CH][C]([Si](C)(C)C)[CH]1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 10028520?
The InChIKey is ZLSXGHMPVQBYGQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H16N.C11H21Si2.2ClH.Ti/c1-12-8-6-11(7-9-12)10-4-2-3-5-10;1-12(2,3)10-7-8-11(9-10)13(4,5)6;;;/h2-5,11H,6-9H2,1H3;7-9H,1-6H3;2*1H;/q;;;;+4/p-2.
What are the key properties of CID 10028520?
CID 10028520 has a molecular weight of 490.49 g/mol, XLogP of -0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10028520 is sourced from PubChem (CID 10028520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).