CID 90259997

C11H12O2Si — CID 90259997

IUPAC—
SMILESC=CCc1ccccc1[Si]OC(C)=O
InChIInChI=1S/C11H12O2Si/c1-3-6-10-7-4-5-8-11(10)14-13-9(2)12/h3-5,7-8H,1,6H2,2H3
InChIKeyRDGWKABGRNWSED-UHFFFAOYSA-N
MW204.30 g/mol
LogP1.22
Rot. Bonds4

About CID 90259997

CID 90259997 (PubChem CID 90259997) has the molecular formula C11H12O2Si and a molecular weight of 204.30 g/mol.

Molecular Properties

Compound NameCID 90259997
PubChem CID90259997
Molecular FormulaC11H12O2Si
Molecular Weight204.30 g/mol
Exact Mass204.06
IUPAC Name—
SMILESC=CCc1ccccc1[Si]OC(C)=O
InChIInChI=1S/C11H12O2Si/c1-3-6-10-7-4-5-8-11(10)14-13-9(2)12/h3-5,7-8H,1,6H2,2H3
InChIKeyRDGWKABGRNWSED-UHFFFAOYSA-N
XLogP1.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 90259997?
The IUPAC name of CID 90259997 (CID 90259997) is not available.
What is the SMILES notation for CID 90259997?
The canonical SMILES for CID 90259997 is C=CCc1ccccc1[Si]OC(C)=O.
What is the InChIKey of CID 90259997?
The InChIKey is RDGWKABGRNWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2Si/c1-3-6-10-7-4-5-8-11(10)14-13-9(2)12/h3-5,7-8H,1,6H2,2H3.
What are the key properties of CID 90259997?
CID 90259997 has a molecular weight of 204.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90259997 is sourced from PubChem (CID 90259997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).