CID 87320092

C11H19O4Si — CID 87320092

IUPAC—
SMILESC[Si](C)OC1C(=O)OC(=O)CC1C(C)(C)C
InChIInChI=1S/C11H19O4Si/c1-11(2,3)7-6-8(12)14-10(13)9(7)15-16(4)5/h7,9H,6H2,1-5H3
InChIKeyHJKAALUVYDIKTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.76
Rot. Bonds2

About CID 87320092

CID 87320092 (PubChem CID 87320092) has the molecular formula C11H19O4Si and a molecular weight of 243.35 g/mol.

Molecular Properties

Compound NameCID 87320092
PubChem CID87320092
Molecular FormulaC11H19O4Si
Molecular Weight243.35 g/mol
Exact Mass243.11
IUPAC Name—
SMILESC[Si](C)OC1C(=O)OC(=O)CC1C(C)(C)C
InChIInChI=1S/C11H19O4Si/c1-11(2,3)7-6-8(12)14-10(13)9(7)15-16(4)5/h7,9H,6H2,1-5H3
InChIKeyHJKAALUVYDIKTD-UHFFFAOYSA-N
XLogP1.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87320092?
The IUPAC name of CID 87320092 (CID 87320092) is not available.
What is the SMILES notation for CID 87320092?
The canonical SMILES for CID 87320092 is C[Si](C)OC1C(=O)OC(=O)CC1C(C)(C)C.
What is the InChIKey of CID 87320092?
The InChIKey is HJKAALUVYDIKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O4Si/c1-11(2,3)7-6-8(12)14-10(13)9(7)15-16(4)5/h7,9H,6H2,1-5H3.
What are the key properties of CID 87320092?
CID 87320092 has a molecular weight of 243.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87320092 is sourced from PubChem (CID 87320092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).