CID 18766823

C11H18Cl2NOSiTi — CID 18766823

IUPAC—
SMILESC[Si](C(=O)NC(C)(C)C)C1=CC=CC1.Cl[Ti]Cl
InChIInChI=1S/C11H18NOSi.2ClH.Ti/c1-11(2,3)12-10(13)14(4)9-7-5-6-8-9;;;/h5-7H,8H2,1-4H3,(H,12,13);2*1H;/q;;;+2/p-2
InChIKeyOSFMAMAUUCEEHW-UHFFFAOYSA-L
MW327.13 g/mol
LogP4.00
Rot. Bonds2

About CID 18766823

CID 18766823 (PubChem CID 18766823) has the molecular formula C11H18Cl2NOSiTi and a molecular weight of 327.13 g/mol.

Molecular Properties

Compound NameCID 18766823
PubChem CID18766823
Molecular FormulaC11H18Cl2NOSiTi
Molecular Weight327.13 g/mol
Exact Mass326.00
IUPAC Name—
SMILESC[Si](C(=O)NC(C)(C)C)C1=CC=CC1.Cl[Ti]Cl
InChIInChI=1S/C11H18NOSi.2ClH.Ti/c1-11(2,3)12-10(13)14(4)9-7-5-6-8-9;;;/h5-7H,8H2,1-4H3,(H,12,13);2*1H;/q;;;+2/p-2
InChIKeyOSFMAMAUUCEEHW-UHFFFAOYSA-L
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18766823?
The IUPAC name of CID 18766823 (CID 18766823) is not available.
What is the SMILES notation for CID 18766823?
The canonical SMILES for CID 18766823 is C[Si](C(=O)NC(C)(C)C)C1=CC=CC1.Cl[Ti]Cl.
What is the InChIKey of CID 18766823?
The InChIKey is OSFMAMAUUCEEHW-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H18NOSi.2ClH.Ti/c1-11(2,3)12-10(13)14(4)9-7-5-6-8-9;;;/h5-7H,8H2,1-4H3,(H,12,13);2*1H;/q;;;+2/p-2.
What are the key properties of CID 18766823?
CID 18766823 has a molecular weight of 327.13 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18766823 is sourced from PubChem (CID 18766823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).