CID 22971903

C13H26O3Si2 — CID 22971903

IUPAC—
SMILESC=CCC(=O)OCCC[Si]OC(C)(C)[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-7-9-12(14)15-10-8-11-17-16-13(2,3)18(4,5)6/h7H,1,8-11H2,2-6H3
InChIKeyCRPDBUYRHCWVIV-UHFFFAOYSA-N
MW286.52 g/mol
LogP3.21
Rot. Bonds9

About CID 22971903

CID 22971903 (PubChem CID 22971903) has the molecular formula C13H26O3Si2 and a molecular weight of 286.52 g/mol.

Molecular Properties

Compound NameCID 22971903
PubChem CID22971903
Molecular FormulaC13H26O3Si2
Molecular Weight286.52 g/mol
Exact Mass286.14
IUPAC Name—
SMILESC=CCC(=O)OCCC[Si]OC(C)(C)[Si](C)(C)C
InChIInChI=1S/C13H26O3Si2/c1-7-9-12(14)15-10-8-11-17-16-13(2,3)18(4,5)6/h7H,1,8-11H2,2-6H3
InChIKeyCRPDBUYRHCWVIV-UHFFFAOYSA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22971903?
The IUPAC name of CID 22971903 (CID 22971903) is not available.
What is the SMILES notation for CID 22971903?
The canonical SMILES for CID 22971903 is C=CCC(=O)OCCC[Si]OC(C)(C)[Si](C)(C)C.
What is the InChIKey of CID 22971903?
The InChIKey is CRPDBUYRHCWVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si2/c1-7-9-12(14)15-10-8-11-17-16-13(2,3)18(4,5)6/h7H,1,8-11H2,2-6H3.
What are the key properties of CID 22971903?
CID 22971903 has a molecular weight of 286.52 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22971903 is sourced from PubChem (CID 22971903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).