CID 57090339

C15H31O4Si3 — CID 57090339

IUPAC—
SMILESC=COC(=O)C(C)=CCCC[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H31O4Si3/c1-9-17-15(16)14(2)12-10-11-13-20(18-21(3,4)5)19-22(6,7)8/h9,12H,1,10-11,13H2,2-8H3
InChIKeyOYCOTDNFAFHSPM-UHFFFAOYSA-N
MW359.67 g/mol
LogP4.59
Rot. Bonds10

About CID 57090339

CID 57090339 (PubChem CID 57090339) has the molecular formula C15H31O4Si3 and a molecular weight of 359.67 g/mol.

Molecular Properties

Compound NameCID 57090339
PubChem CID57090339
Molecular FormulaC15H31O4Si3
Molecular Weight359.67 g/mol
Exact Mass359.15
IUPAC Name—
SMILESC=COC(=O)C(C)=CCCC[Si](O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C15H31O4Si3/c1-9-17-15(16)14(2)12-10-11-13-20(18-21(3,4)5)19-22(6,7)8/h9,12H,1,10-11,13H2,2-8H3
InChIKeyOYCOTDNFAFHSPM-UHFFFAOYSA-N
XLogP4.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.67
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 57090339?
The IUPAC name of CID 57090339 (CID 57090339) is not available.
What is the SMILES notation for CID 57090339?
The canonical SMILES for CID 57090339 is C=COC(=O)C(C)=CCCC[Si](O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of CID 57090339?
The InChIKey is OYCOTDNFAFHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O4Si3/c1-9-17-15(16)14(2)12-10-11-13-20(18-21(3,4)5)19-22(6,7)8/h9,12H,1,10-11,13H2,2-8H3.
What are the key properties of CID 57090339?
CID 57090339 has a molecular weight of 359.67 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57090339 is sourced from PubChem (CID 57090339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).