CID 58879084

C14H23O5Si — CID 58879084

IUPAC—
SMILESC=CC(=O)OCC(COC(=O)C(=C)C)O[Si](C)CCC
InChIInChI=1S/C14H23O5Si/c1-6-8-20(5)19-12(9-17-13(15)7-2)10-18-14(16)11(3)4/h7,12H,2-3,6,8-10H2,1,4-5H3
InChIKeyDCHVOKZVTWNHJI-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.25
Rot. Bonds10

About CID 58879084

CID 58879084 (PubChem CID 58879084) has the molecular formula C14H23O5Si and a molecular weight of 299.42 g/mol.

Molecular Properties

Compound NameCID 58879084
PubChem CID58879084
Molecular FormulaC14H23O5Si
Molecular Weight299.42 g/mol
Exact Mass299.13
IUPAC Name—
SMILESC=CC(=O)OCC(COC(=O)C(=C)C)O[Si](C)CCC
InChIInChI=1S/C14H23O5Si/c1-6-8-20(5)19-12(9-17-13(15)7-2)10-18-14(16)11(3)4/h7,12H,2-3,6,8-10H2,1,4-5H3
InChIKeyDCHVOKZVTWNHJI-UHFFFAOYSA-N
XLogP2.25
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 58879084?
The IUPAC name of CID 58879084 (CID 58879084) is not available.
What is the SMILES notation for CID 58879084?
The canonical SMILES for CID 58879084 is C=CC(=O)OCC(COC(=O)C(=C)C)O[Si](C)CCC.
What is the InChIKey of CID 58879084?
The InChIKey is DCHVOKZVTWNHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O5Si/c1-6-8-20(5)19-12(9-17-13(15)7-2)10-18-14(16)11(3)4/h7,12H,2-3,6,8-10H2,1,4-5H3.
What are the key properties of CID 58879084?
CID 58879084 has a molecular weight of 299.42 g/mol, XLogP of 2.25, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58879084 is sourced from PubChem (CID 58879084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).