CID 136818393

C11H12OSi — CID 136818393

IUPAC—
SMILESC#CC(C)(C)O[Si]c1ccccc1
InChIInChI=1S/C11H12OSi/c1-4-11(2,3)12-13-10-8-6-5-7-9-10/h1,5-9H,2-3H3
InChIKeyYJPJCJPJLJWPEU-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.36
Rot. Bonds3

About CID 136818393

CID 136818393 (PubChem CID 136818393) has the molecular formula C11H12OSi and a molecular weight of 188.30 g/mol.

Molecular Properties

Compound NameCID 136818393
PubChem CID136818393
Molecular FormulaC11H12OSi
Molecular Weight188.30 g/mol
Exact Mass188.07
IUPAC Name—
SMILESC#CC(C)(C)O[Si]c1ccccc1
InChIInChI=1S/C11H12OSi/c1-4-11(2,3)12-13-10-8-6-5-7-9-10/h1,5-9H,2-3H3
InChIKeyYJPJCJPJLJWPEU-UHFFFAOYSA-N
XLogP1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136818393?
The IUPAC name of CID 136818393 (CID 136818393) is not available.
What is the SMILES notation for CID 136818393?
The canonical SMILES for CID 136818393 is C#CC(C)(C)O[Si]c1ccccc1.
What is the InChIKey of CID 136818393?
The InChIKey is YJPJCJPJLJWPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OSi/c1-4-11(2,3)12-13-10-8-6-5-7-9-10/h1,5-9H,2-3H3.
What are the key properties of CID 136818393?
CID 136818393 has a molecular weight of 188.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136818393 is sourced from PubChem (CID 136818393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).