CID 58775858

C11H18O4Si — CID 58775858

IUPAC—
SMILESC=C(/C=C(\OC)C(=O)OC)O[Si]C(C)(C)C
InChIInChI=1S/C11H18O4Si/c1-8(15-16-11(2,3)4)7-9(13-5)10(12)14-6/h7H,1H2,2-6H3/b9-7-
InChIKeyOIJPUIHJKMGAPB-CLFYSBASSA-N
MW242.35 g/mol
LogP2.06
Rot. Bonds5

About CID 58775858

CID 58775858 (PubChem CID 58775858) has the molecular formula C11H18O4Si and a molecular weight of 242.35 g/mol.

Molecular Properties

Compound NameCID 58775858
PubChem CID58775858
Molecular FormulaC11H18O4Si
Molecular Weight242.35 g/mol
Exact Mass242.10
IUPAC Name—
SMILESC=C(/C=C(\OC)C(=O)OC)O[Si]C(C)(C)C
InChIInChI=1S/C11H18O4Si/c1-8(15-16-11(2,3)4)7-9(13-5)10(12)14-6/h7H,1H2,2-6H3/b9-7-
InChIKeyOIJPUIHJKMGAPB-CLFYSBASSA-N
XLogP2.06
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58775858?
The IUPAC name of CID 58775858 (CID 58775858) is not available.
What is the SMILES notation for CID 58775858?
The canonical SMILES for CID 58775858 is C=C(/C=C(\OC)C(=O)OC)O[Si]C(C)(C)C.
What is the InChIKey of CID 58775858?
The InChIKey is OIJPUIHJKMGAPB-CLFYSBASSA-N. The full InChI is InChI=1S/C11H18O4Si/c1-8(15-16-11(2,3)4)7-9(13-5)10(12)14-6/h7H,1H2,2-6H3/b9-7-.
What are the key properties of CID 58775858?
CID 58775858 has a molecular weight of 242.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58775858 is sourced from PubChem (CID 58775858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).