CID 18410700

C12H13O4Si — CID 18410700

IUPAC—
SMILESC=Cc1ccccc1[Si](OC(C)=O)OC(C)=O
InChIInChI=1S/C12H13O4Si/c1-4-11-7-5-6-8-12(11)17(15-9(2)13)16-10(3)14/h4-8H,1H2,2-3H3
InChIKeyZLKCEOWEUIWVAY-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.15
Rot. Bonds4

About CID 18410700

CID 18410700 (PubChem CID 18410700) has the molecular formula C12H13O4Si and a molecular weight of 249.32 g/mol.

Molecular Properties

Compound NameCID 18410700
PubChem CID18410700
Molecular FormulaC12H13O4Si
Molecular Weight249.32 g/mol
Exact Mass249.06
IUPAC Name—
SMILESC=Cc1ccccc1[Si](OC(C)=O)OC(C)=O
InChIInChI=1S/C12H13O4Si/c1-4-11-7-5-6-8-12(11)17(15-9(2)13)16-10(3)14/h4-8H,1H2,2-3H3
InChIKeyZLKCEOWEUIWVAY-UHFFFAOYSA-N
XLogP1.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.15
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 18410700?
The IUPAC name of CID 18410700 (CID 18410700) is not available.
What is the SMILES notation for CID 18410700?
The canonical SMILES for CID 18410700 is C=Cc1ccccc1[Si](OC(C)=O)OC(C)=O.
What is the InChIKey of CID 18410700?
The InChIKey is ZLKCEOWEUIWVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O4Si/c1-4-11-7-5-6-8-12(11)17(15-9(2)13)16-10(3)14/h4-8H,1H2,2-3H3.
What are the key properties of CID 18410700?
CID 18410700 has a molecular weight of 249.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18410700 is sourced from PubChem (CID 18410700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).