CID 173187605

C13H24Cl2NOSiTi — CID 173187605

IUPAC—
SMILESCC(C)(C)C([NH-])=O.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C6H7.C5H11NO.C2H7Si.2ClH.Ti/c1-6-4-2-3-5-6;1-5(2,3)4(6)7;1-3-2;;;/h4-5H,2H2,1H3;1-3H3,(H2,6,7);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyUYHYLIYZSZVOFS-UHFFFAOYSA-K
MW357.20 g/mol
LogP-2.17
Rot. Bonds

About CID 173187605

CID 173187605 (PubChem CID 173187605) has the molecular formula C13H24Cl2NOSiTi and a molecular weight of 357.20 g/mol.

Molecular Properties

Compound NameCID 173187605
PubChem CID173187605
Molecular FormulaC13H24Cl2NOSiTi
Molecular Weight357.20 g/mol
Exact Mass356.05
IUPAC Name—
SMILESCC(C)(C)C([NH-])=O.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C6H7.C5H11NO.C2H7Si.2ClH.Ti/c1-6-4-2-3-5-6;1-5(2,3)4(6)7;1-3-2;;;/h4-5H,2H2,1H3;1-3H3,(H2,6,7);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3
InChIKeyUYHYLIYZSZVOFS-UHFFFAOYSA-K
XLogP-2.17
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 5-2.17
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'}

Analyze CID 173187605 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 173187605?
The IUPAC name of CID 173187605 (CID 173187605) is not available.
What is the SMILES notation for CID 173187605?
The canonical SMILES for CID 173187605 is CC(C)(C)C([NH-])=O.CC1=CC[C-]=C1.C[SiH]C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of CID 173187605?
The InChIKey is UYHYLIYZSZVOFS-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H7.C5H11NO.C2H7Si.2ClH.Ti/c1-6-4-2-3-5-6;1-5(2,3)4(6)7;1-3-2;;;/h4-5H,2H2,1H3;1-3H3,(H2,6,7);3H,1-2H3;2*1H;/q-1;;;;;+4/p-3.
What are the key properties of CID 173187605?
CID 173187605 has a molecular weight of 357.20 g/mol, XLogP of -2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173187605 is sourced from PubChem (CID 173187605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).