CID 57270188

C14H31O4Si3 — CID 57270188

IUPAC—
SMILESCOC(=O)C(C)=CCCC[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H31O4Si3/c1-13(14(15)16-2)11-9-10-12-19(17-20(3,4)5)18-21(6,7)8/h11H,9-10,12H2,1-8H3
InChIKeyOKSUJKMJAWFFOU-UHFFFAOYSA-N
MW347.66 g/mol
LogP4.08
Rot. Bonds9

About CID 57270188

CID 57270188 (PubChem CID 57270188) has the molecular formula C14H31O4Si3 and a molecular weight of 347.66 g/mol.

Molecular Properties

Compound NameCID 57270188
PubChem CID57270188
Molecular FormulaC14H31O4Si3
Molecular Weight347.66 g/mol
Exact Mass347.15
IUPAC Name—
SMILESCOC(=O)C(C)=CCCC[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C14H31O4Si3/c1-13(14(15)16-2)11-9-10-12-19(17-20(3,4)5)18-21(6,7)8/h11H,9-10,12H2,1-8H3
InChIKeyOKSUJKMJAWFFOU-UHFFFAOYSA-N
XLogP4.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 57270188?
The IUPAC name of CID 57270188 (CID 57270188) is not available.
What is the SMILES notation for CID 57270188?
The canonical SMILES for CID 57270188 is COC(=O)C(C)=CCCC[Si](O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 57270188?
The InChIKey is OKSUJKMJAWFFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31O4Si3/c1-13(14(15)16-2)11-9-10-12-19(17-20(3,4)5)18-21(6,7)8/h11H,9-10,12H2,1-8H3.
What are the key properties of CID 57270188?
CID 57270188 has a molecular weight of 347.66 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57270188 is sourced from PubChem (CID 57270188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).