CID 173203380

C11H22Cl3O2SiTi — CID 173203380

IUPAC—
SMILESC[Si](C)C.Cl.Cl.Cl.[C-]1=CC=CC1.[CH2-]C(=O)OC.[Ti+2]
InChIInChI=1S/C5H5.C3H5O2.C3H9Si.3ClH.Ti/c1-2-4-5-3-1;1-3(4)5-2;1-4(2)3;;;;/h1-3H,4H2;1H2,2H3;1-3H3;3*1H;/q2*-1;;;;;+2
InChIKeyRWOZBILSLQHERI-UHFFFAOYSA-N
MW368.61 g/mol
LogP3.93
Rot. Bonds

About CID 173203380

CID 173203380 (PubChem CID 173203380) has the molecular formula C11H22Cl3O2SiTi and a molecular weight of 368.61 g/mol.

Molecular Properties

Compound NameCID 173203380
PubChem CID173203380
Molecular FormulaC11H22Cl3O2SiTi
Molecular Weight368.61 g/mol
Exact Mass366.99
IUPAC Name—
SMILESC[Si](C)C.Cl.Cl.Cl.[C-]1=CC=CC1.[CH2-]C(=O)OC.[Ti+2]
InChIInChI=1S/C5H5.C3H5O2.C3H9Si.3ClH.Ti/c1-2-4-5-3-1;1-3(4)5-2;1-4(2)3;;;;/h1-3H,4H2;1H2,2H3;1-3H3;3*1H;/q2*-1;;;;;+2
InChIKeyRWOZBILSLQHERI-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of CID 173203380?
The IUPAC name of CID 173203380 (CID 173203380) is not available.
What is the SMILES notation for CID 173203380?
The canonical SMILES for CID 173203380 is C[Si](C)C.Cl.Cl.Cl.[C-]1=CC=CC1.[CH2-]C(=O)OC.[Ti+2].
What is the InChIKey of CID 173203380?
The InChIKey is RWOZBILSLQHERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.C3H5O2.C3H9Si.3ClH.Ti/c1-2-4-5-3-1;1-3(4)5-2;1-4(2)3;;;;/h1-3H,4H2;1H2,2H3;1-3H3;3*1H;/q2*-1;;;;;+2.
What are the key properties of CID 173203380?
CID 173203380 has a molecular weight of 368.61 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173203380 is sourced from PubChem (CID 173203380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).