CID 173187892

C11H20Cl2NOSiTi — CID 173187892

IUPAC—
SMILESCC1=CC[C-]=C1.CCC([NH-])=O.C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C6H7.C3H7NO.C2H7Si.2ClH.Ti/c1-6-4-2-3-5-6;1-2-3(4)5;1-3-2;;;/h4-5H,2H2,1H3;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyQVLUOSULHNUVTO-UHFFFAOYSA-K
MW329.15 g/mol
LogP-2.80
Rot. Bonds1

About CID 173187892

CID 173187892 (PubChem CID 173187892) has the molecular formula C11H20Cl2NOSiTi and a molecular weight of 329.15 g/mol.

Molecular Properties

Compound NameCID 173187892
PubChem CID173187892
Molecular FormulaC11H20Cl2NOSiTi
Molecular Weight329.15 g/mol
Exact Mass328.02
IUPAC Name—
SMILESCC1=CC[C-]=C1.CCC([NH-])=O.C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C6H7.C3H7NO.C2H7Si.2ClH.Ti/c1-6-4-2-3-5-6;1-2-3(4)5;1-3-2;;;/h4-5H,2H2,1H3;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyQVLUOSULHNUVTO-UHFFFAOYSA-K
XLogP-2.80
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 CID 173187892?
The IUPAC name of CID 173187892 (CID 173187892) is not available.
What is the SMILES notation for CID 173187892?
The canonical SMILES for CID 173187892 is CC1=CC[C-]=C1.CCC([NH-])=O.C[SiH]C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173187892?
The InChIKey is QVLUOSULHNUVTO-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H7.C3H7NO.C2H7Si.2ClH.Ti/c1-6-4-2-3-5-6;1-2-3(4)5;1-3-2;;;/h4-5H,2H2,1H3;2H2,1H3,(H2,4,5);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187892?
CID 173187892 has a molecular weight of 329.15 g/mol, XLogP of -2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187892 is sourced from PubChem (CID 173187892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).