CID 19366080

C9H12O2Si — CID 19366080

IUPAC—
SMILESCOC(OC)[Si]c1ccccc1
InChIInChI=1S/C9H12O2Si/c1-10-9(11-2)12-8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyRRJHUACFVLPGGZ-UHFFFAOYSA-N
MW180.28 g/mol
LogP0.59
Rot. Bonds4

About CID 19366080

CID 19366080 (PubChem CID 19366080) has the molecular formula C9H12O2Si and a molecular weight of 180.28 g/mol.

Molecular Properties

Compound NameCID 19366080
PubChem CID19366080
Molecular FormulaC9H12O2Si
Molecular Weight180.28 g/mol
Exact Mass180.06
IUPAC Name—
SMILESCOC(OC)[Si]c1ccccc1
InChIInChI=1S/C9H12O2Si/c1-10-9(11-2)12-8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyRRJHUACFVLPGGZ-UHFFFAOYSA-N
XLogP0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19366080?
The IUPAC name of CID 19366080 (CID 19366080) is not available.
What is the SMILES notation for CID 19366080?
The canonical SMILES for CID 19366080 is COC(OC)[Si]c1ccccc1.
What is the InChIKey of CID 19366080?
The InChIKey is RRJHUACFVLPGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2Si/c1-10-9(11-2)12-8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of CID 19366080?
CID 19366080 has a molecular weight of 180.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19366080 is sourced from PubChem (CID 19366080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).