CID 153322977

C9H17O5Si — CID 153322977

IUPAC—
SMILESCC=C(OC[Si](OC)OC)C(=O)OCC
InChIInChI=1S/C9H17O5Si/c1-5-8(9(10)13-6-2)14-7-15(11-3)12-4/h5H,6-7H2,1-4H3
InChIKeyODVRJPXDOPDLGY-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.79
Rot. Bonds7

About CID 153322977

CID 153322977 (PubChem CID 153322977) has the molecular formula C9H17O5Si and a molecular weight of 233.32 g/mol.

Molecular Properties

Compound NameCID 153322977
PubChem CID153322977
Molecular FormulaC9H17O5Si
Molecular Weight233.32 g/mol
Exact Mass233.08
IUPAC Name—
SMILESCC=C(OC[Si](OC)OC)C(=O)OCC
InChIInChI=1S/C9H17O5Si/c1-5-8(9(10)13-6-2)14-7-15(11-3)12-4/h5H,6-7H2,1-4H3
InChIKeyODVRJPXDOPDLGY-UHFFFAOYSA-N
XLogP0.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 153322977?
The IUPAC name of CID 153322977 (CID 153322977) is not available.
What is the SMILES notation for CID 153322977?
The canonical SMILES for CID 153322977 is CC=C(OC[Si](OC)OC)C(=O)OCC.
What is the InChIKey of CID 153322977?
The InChIKey is ODVRJPXDOPDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O5Si/c1-5-8(9(10)13-6-2)14-7-15(11-3)12-4/h5H,6-7H2,1-4H3.
What are the key properties of CID 153322977?
CID 153322977 has a molecular weight of 233.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153322977 is sourced from PubChem (CID 153322977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).