CID 173188109

C13H22Cl2NOSiTi — CID 173188109

IUPAC—
SMILESC[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[NH-]C(=O)C1CCCC1.[Ti+4]
InChIInChI=1S/C6H11NO.C5H5.C2H7Si.2ClH.Ti/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;1-3-2;;;/h5H,1-4H2,(H2,7,8);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyWTLGWCRFWDGXFF-UHFFFAOYSA-K
MW355.18 g/mol
LogP-2.41
Rot. Bonds1

About CID 173188109

CID 173188109 (PubChem CID 173188109) has the molecular formula C13H22Cl2NOSiTi and a molecular weight of 355.18 g/mol.

Molecular Properties

Compound NameCID 173188109
PubChem CID173188109
Molecular FormulaC13H22Cl2NOSiTi
Molecular Weight355.18 g/mol
Exact Mass354.03
IUPAC Name—
SMILESC[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[NH-]C(=O)C1CCCC1.[Ti+4]
InChIInChI=1S/C6H11NO.C5H5.C2H7Si.2ClH.Ti/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;1-3-2;;;/h5H,1-4H2,(H2,7,8);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3
InChIKeyWTLGWCRFWDGXFF-UHFFFAOYSA-K
XLogP-2.41
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 5-2.41
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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Related Compounds

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CID 173302274
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
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CID 173258411
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CID 173137615
CID 173137615
CID 173172683
CID 173172683
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
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hexakis(cyclopenta-1,3-diene);tris(niobium(2+));trichloride
CID 21269223
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
carbanide;cyclopenta-1,3-diene;manganese(3+);acetate
CID 67831747
cyclopenta-1,3-diene;methyl acetate;titanium(3+);trichloride
CID 173140653

Frequently Asked Questions

What is the IUPAC name of CID 173188109?
The IUPAC name of CID 173188109 (CID 173188109) is not available.
What is the SMILES notation for CID 173188109?
The canonical SMILES for CID 173188109 is C[SiH]C.[C-]1=CC=CC1.[Cl-].[Cl-].[NH-]C(=O)C1CCCC1.[Ti+4].
What is the InChIKey of CID 173188109?
The InChIKey is WTLGWCRFWDGXFF-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H11NO.C5H5.C2H7Si.2ClH.Ti/c7-6(8)5-3-1-2-4-5;1-2-4-5-3-1;1-3-2;;;/h5H,1-4H2,(H2,7,8);1-3H,4H2;3H,1-2H3;2*1H;/q;-1;;;;+4/p-3.
What are the key properties of CID 173188109?
CID 173188109 has a molecular weight of 355.18 g/mol, XLogP of -2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173188109 is sourced from PubChem (CID 173188109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).