CID 90389587

C12H15O4Si — CID 90389587

IUPAC—
SMILESCCc1ccccc1[Si](OC(C)=O)OC(C)=O
InChIInChI=1S/C12H15O4Si/c1-4-11-7-5-6-8-12(11)17(15-9(2)13)16-10(3)14/h5-8H,4H2,1-3H3
InChIKeyXUIYWFZQQDZSPA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.07
Rot. Bonds4

About CID 90389587

CID 90389587 (PubChem CID 90389587) has the molecular formula C12H15O4Si and a molecular weight of 251.33 g/mol.

Molecular Properties

Compound NameCID 90389587
PubChem CID90389587
Molecular FormulaC12H15O4Si
Molecular Weight251.33 g/mol
Exact Mass251.07
IUPAC Name—
SMILESCCc1ccccc1[Si](OC(C)=O)OC(C)=O
InChIInChI=1S/C12H15O4Si/c1-4-11-7-5-6-8-12(11)17(15-9(2)13)16-10(3)14/h5-8H,4H2,1-3H3
InChIKeyXUIYWFZQQDZSPA-UHFFFAOYSA-N
XLogP1.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 90389587?
The IUPAC name of CID 90389587 (CID 90389587) is not available.
What is the SMILES notation for CID 90389587?
The canonical SMILES for CID 90389587 is CCc1ccccc1[Si](OC(C)=O)OC(C)=O.
What is the InChIKey of CID 90389587?
The InChIKey is XUIYWFZQQDZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O4Si/c1-4-11-7-5-6-8-12(11)17(15-9(2)13)16-10(3)14/h5-8H,4H2,1-3H3.
What are the key properties of CID 90389587?
CID 90389587 has a molecular weight of 251.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90389587 is sourced from PubChem (CID 90389587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).