CID 173206026

C15H22Cl2NSiTi — CID 173206026

IUPAC—
SMILESC[Si](C)C1C(NC(C)(C)C)=Cc2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H22NSi.2ClH.Ti/c1-15(2,3)16-13-10-11-8-6-7-9-12(11)14(13)17(4)5;;;/h6-10,14,16H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyUTLNMAURJDKSRV-UHFFFAOYSA-L
MW363.21 g/mol
LogP-2.19
Rot. Bonds2

About CID 173206026

CID 173206026 (PubChem CID 173206026) has the molecular formula C15H22Cl2NSiTi and a molecular weight of 363.21 g/mol.

Molecular Properties

Compound NameCID 173206026
PubChem CID173206026
Molecular FormulaC15H22Cl2NSiTi
Molecular Weight363.21 g/mol
Exact Mass362.04
IUPAC Name—
SMILESC[Si](C)C1C(NC(C)(C)C)=Cc2ccccc21.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H22NSi.2ClH.Ti/c1-15(2,3)16-13-10-11-8-6-7-9-12(11)14(13)17(4)5;;;/h6-10,14,16H,1-5H3;2*1H;/q;;;+2/p-2
InChIKeyUTLNMAURJDKSRV-UHFFFAOYSA-L
XLogP-2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-methoxy-1-[2-(2-methoxy-1H-inden-1-yl)phenyl]-1H-indene
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Frequently Asked Questions

What is the IUPAC name of CID 173206026?
The IUPAC name of CID 173206026 (CID 173206026) is not available.
What is the SMILES notation for CID 173206026?
The canonical SMILES for CID 173206026 is C[Si](C)C1C(NC(C)(C)C)=Cc2ccccc21.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of CID 173206026?
The InChIKey is UTLNMAURJDKSRV-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H22NSi.2ClH.Ti/c1-15(2,3)16-13-10-11-8-6-7-9-12(11)14(13)17(4)5;;;/h6-10,14,16H,1-5H3;2*1H;/q;;;+2/p-2.
What are the key properties of CID 173206026?
CID 173206026 has a molecular weight of 363.21 g/mol, XLogP of -2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173206026 is sourced from PubChem (CID 173206026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).