CID 67485897

C12H20NOSi — CID 67485897

IUPAC—
SMILESC[Si](C)OCc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C12H20NOSi/c1-12(2,3)10-6-7-13-11(8-10)9-14-15(4)5/h6-8H,9H2,1-5H3
InChIKeyBHBXMFGDKGLVAB-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.15
Rot. Bonds3

About CID 67485897

CID 67485897 (PubChem CID 67485897) has the molecular formula C12H20NOSi and a molecular weight of 222.38 g/mol.

Molecular Properties

Compound NameCID 67485897
PubChem CID67485897
Molecular FormulaC12H20NOSi
Molecular Weight222.38 g/mol
Exact Mass222.13
IUPAC Name—
SMILESC[Si](C)OCc1cc(C(C)(C)C)ccn1
InChIInChI=1S/C12H20NOSi/c1-12(2,3)10-6-7-13-11(8-10)9-14-15(4)5/h6-8H,9H2,1-5H3
InChIKeyBHBXMFGDKGLVAB-UHFFFAOYSA-N
XLogP3.15
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 67485897?
The IUPAC name of CID 67485897 (CID 67485897) is not available.
What is the SMILES notation for CID 67485897?
The canonical SMILES for CID 67485897 is C[Si](C)OCc1cc(C(C)(C)C)ccn1.
What is the InChIKey of CID 67485897?
The InChIKey is BHBXMFGDKGLVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NOSi/c1-12(2,3)10-6-7-13-11(8-10)9-14-15(4)5/h6-8H,9H2,1-5H3.
What are the key properties of CID 67485897?
CID 67485897 has a molecular weight of 222.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67485897 is sourced from PubChem (CID 67485897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).