CID 20676482

C13H28O3Si3 — CID 20676482

IUPAC—
SMILESCO[Si](CCC1CC=CCC1)O[Si](C)O[Si](C)(C)C
InChIInChI=1S/C13H28O3Si3/c1-14-18(15-17(2)16-19(3,4)5)12-11-13-9-7-6-8-10-13/h6-7,13H,8-12H2,1-5H3
InChIKeyGNDQEQPMJSIYOS-UHFFFAOYSA-N
MW316.62 g/mol
LogP3.85
Rot. Bonds8

About CID 20676482

CID 20676482 (PubChem CID 20676482) has the molecular formula C13H28O3Si3 and a molecular weight of 316.62 g/mol.

Molecular Properties

Compound NameCID 20676482
PubChem CID20676482
Molecular FormulaC13H28O3Si3
Molecular Weight316.62 g/mol
Exact Mass316.13
IUPAC Name—
SMILESCO[Si](CCC1CC=CCC1)O[Si](C)O[Si](C)(C)C
InChIInChI=1S/C13H28O3Si3/c1-14-18(15-17(2)16-19(3,4)5)12-11-13-9-7-6-8-10-13/h6-7,13H,8-12H2,1-5H3
InChIKeyGNDQEQPMJSIYOS-UHFFFAOYSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 20676482?
The IUPAC name of CID 20676482 (CID 20676482) is not available.
What is the SMILES notation for CID 20676482?
The canonical SMILES for CID 20676482 is CO[Si](CCC1CC=CCC1)O[Si](C)O[Si](C)(C)C.
What is the InChIKey of CID 20676482?
The InChIKey is GNDQEQPMJSIYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si3/c1-14-18(15-17(2)16-19(3,4)5)12-11-13-9-7-6-8-10-13/h6-7,13H,8-12H2,1-5H3.
What are the key properties of CID 20676482?
CID 20676482 has a molecular weight of 316.62 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20676482 is sourced from PubChem (CID 20676482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).