CID 58805442

C11H19O2Si — CID 58805442

IUPAC—
SMILESC[Si](C)C1=CCC[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C11H19O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1
InChIKeyASKJKDJTHZUKBM-WPRPVWTQSA-N
MW211.36 g/mol
LogP2.52
Rot. Bonds1

About CID 58805442

CID 58805442 (PubChem CID 58805442) has the molecular formula C11H19O2Si and a molecular weight of 211.36 g/mol.

Molecular Properties

Compound NameCID 58805442
PubChem CID58805442
Molecular FormulaC11H19O2Si
Molecular Weight211.36 g/mol
Exact Mass211.12
IUPAC Name—
SMILESC[Si](C)C1=CCC[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C11H19O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1
InChIKeyASKJKDJTHZUKBM-WPRPVWTQSA-N
XLogP2.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.36
LogP ≤ 52.52
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 58805442?
The IUPAC name of CID 58805442 (CID 58805442) is not available.
What is the SMILES notation for CID 58805442?
The canonical SMILES for CID 58805442 is C[Si](C)C1=CCC[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of CID 58805442?
The InChIKey is ASKJKDJTHZUKBM-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H19O2Si/c1-11(2)12-8-6-5-7-9(14(3)4)10(8)13-11/h7-8,10H,5-6H2,1-4H3/t8-,10-/m0/s1.
What are the key properties of CID 58805442?
CID 58805442 has a molecular weight of 211.36 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58805442 is sourced from PubChem (CID 58805442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).