CID 87690842

C15H31Cl2NSiTi- — CID 87690842

IUPAC—
SMILESCC(C)(C)[NH-].CC1=C(C)C(C)C([Si](C)C)=C1C.Cl.Cl.[Ti]
InChIInChI=1S/C11H19Si.C4H10N.2ClH.Ti/c1-7-8(2)10(4)11(9(7)3)12(5)6;1-4(2,3)5;;;/h9H,1-6H3;5H,1-3H3;2*1H;/q;-1;;;
InChIKeyHFYNEANXODMZKN-UHFFFAOYSA-N
MW372.28 g/mol
LogP6.26
Rot. Bonds1

About CID 87690842

CID 87690842 (PubChem CID 87690842) has the molecular formula C15H31Cl2NSiTi- and a molecular weight of 372.28 g/mol.

Molecular Properties

Compound NameCID 87690842
PubChem CID87690842
Molecular FormulaC15H31Cl2NSiTi-
Molecular Weight372.28 g/mol
Exact Mass371.11
IUPAC Name—
SMILESCC(C)(C)[NH-].CC1=C(C)C(C)C([Si](C)C)=C1C.Cl.Cl.[Ti]
InChIInChI=1S/C11H19Si.C4H10N.2ClH.Ti/c1-7-8(2)10(4)11(9(7)3)12(5)6;1-4(2,3)5;;;/h9H,1-6H3;5H,1-3H3;2*1H;/q;-1;;;
InChIKeyHFYNEANXODMZKN-UHFFFAOYSA-N
XLogP6.26
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 87690842?
The IUPAC name of CID 87690842 (CID 87690842) is not available.
What is the SMILES notation for CID 87690842?
The canonical SMILES for CID 87690842 is CC(C)(C)[NH-].CC1=C(C)C(C)C([Si](C)C)=C1C.Cl.Cl.[Ti].
What is the InChIKey of CID 87690842?
The InChIKey is HFYNEANXODMZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Si.C4H10N.2ClH.Ti/c1-7-8(2)10(4)11(9(7)3)12(5)6;1-4(2,3)5;;;/h9H,1-6H3;5H,1-3H3;2*1H;/q;-1;;;.
What are the key properties of CID 87690842?
CID 87690842 has a molecular weight of 372.28 g/mol, XLogP of 6.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87690842 is sourced from PubChem (CID 87690842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).