CID 172736772

C13H26Cl2NSiTi — CID 172736772

IUPAC—
SMILESCC(C)(C)[NH-].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[SiH3].[Ti+4]
InChIInChI=1S/C9H13.C4H10N.2ClH.H3Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;;;;/h5H,1-4H3;5H,1-3H3;2*1H;1H3;/q2*-1;;;;+4/p-2
InChIKeyDEAXXOHBXJOMAV-UHFFFAOYSA-L
MW343.22 g/mol
LogP-2.70
Rot. Bonds

About CID 172736772

CID 172736772 (PubChem CID 172736772) has the molecular formula C13H26Cl2NSiTi and a molecular weight of 343.22 g/mol.

Molecular Properties

Compound NameCID 172736772
PubChem CID172736772
Molecular FormulaC13H26Cl2NSiTi
Molecular Weight343.22 g/mol
Exact Mass342.07
IUPAC Name—
SMILESCC(C)(C)[NH-].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[SiH3].[Ti+4]
InChIInChI=1S/C9H13.C4H10N.2ClH.H3Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;;;;/h5H,1-4H3;5H,1-3H3;2*1H;1H3;/q2*-1;;;;+4/p-2
InChIKeyDEAXXOHBXJOMAV-UHFFFAOYSA-L
XLogP-2.70
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 5-2.70
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 CID 172736772?
The IUPAC name of CID 172736772 (CID 172736772) is not available.
What is the SMILES notation for CID 172736772?
The canonical SMILES for CID 172736772 is CC(C)(C)[NH-].Cc1c[c-](C)c(C)c1C.[Cl-].[Cl-].[SiH3].[Ti+4].
What is the InChIKey of CID 172736772?
The InChIKey is DEAXXOHBXJOMAV-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C4H10N.2ClH.H3Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;;;;/h5H,1-4H3;5H,1-3H3;2*1H;1H3;/q2*-1;;;;+4/p-2.
What are the key properties of CID 172736772?
CID 172736772 has a molecular weight of 343.22 g/mol, XLogP of -2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172736772 is sourced from PubChem (CID 172736772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).