CID 87935911

C19H28Cl2O3Si2Ti — CID 87935911

IUPAC—
SMILESCCO[Si](C)O[Si](C)(C)C.Cl.Cl.O=[Ti+].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H17O2Si2.2ClH.O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-7-9(2)8-10(3,4)5;;;;/h1-9H;6H2,1-5H3;2*1H;;/q-1;;;;;+1
InChIKeyANJZRTHKNSEZHE-UHFFFAOYSA-N
MW479.38 g/mol
LogP6.43
Rot. Bonds4

About CID 87935911

CID 87935911 (PubChem CID 87935911) has the molecular formula C19H28Cl2O3Si2Ti and a molecular weight of 479.38 g/mol.

Molecular Properties

Compound NameCID 87935911
PubChem CID87935911
Molecular FormulaC19H28Cl2O3Si2Ti
Molecular Weight479.38 g/mol
Exact Mass478.04
IUPAC Name—
SMILESCCO[Si](C)O[Si](C)(C)C.Cl.Cl.O=[Ti+].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H17O2Si2.2ClH.O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-7-9(2)8-10(3,4)5;;;;/h1-9H;6H2,1-5H3;2*1H;;/q-1;;;;;+1
InChIKeyANJZRTHKNSEZHE-UHFFFAOYSA-N
XLogP6.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.38
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 87935911?
The IUPAC name of CID 87935911 (CID 87935911) is not available.
What is the SMILES notation for CID 87935911?
The canonical SMILES for CID 87935911 is CCO[Si](C)O[Si](C)(C)C.Cl.Cl.O=[Ti+].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of CID 87935911?
The InChIKey is ANJZRTHKNSEZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C6H17O2Si2.2ClH.O.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-6-7-9(2)8-10(3,4)5;;;;/h1-9H;6H2,1-5H3;2*1H;;/q-1;;;;;+1.
What are the key properties of CID 87935911?
CID 87935911 has a molecular weight of 479.38 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87935911 is sourced from PubChem (CID 87935911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).