bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate

C20H28O6Si2 — CID 123936417

IUPACbis(2-silyloxan-2-yl) 2-benzylidenepropanedioate
SMILESO=C(OC1([SiH3])CCCCO1)C(=Cc1ccccc1)C(=O)OC1([SiH3])CCCCO1
InChIInChI=1S/C20H28O6Si2/c21-17(25-19(27)10-4-6-12-23-19)16(14-15-8-2-1-3-9-15)18(22)26-20(28)11-5-7-13-24-20/h1-3,8-9,14H,4-7,10-13H2,27-28H3
InChIKeyMMEDFYMLKSMVSB-UHFFFAOYSA-N
MW420.61 g/mol
LogP0.60
Rot. Bonds5

About bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate

bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate (PubChem CID 123936417) has the molecular formula C20H28O6Si2 and a molecular weight of 420.61 g/mol. Its IUPAC name is bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate.

Molecular Properties

Compound Namebis(2-silyloxan-2-yl) 2-benzylidenepropanedioate
PubChem CID123936417
Molecular FormulaC20H28O6Si2
Molecular Weight420.61 g/mol
Exact Mass420.14
IUPAC Namebis(2-silyloxan-2-yl) 2-benzylidenepropanedioate
SMILESO=C(OC1([SiH3])CCCCO1)C(=Cc1ccccc1)C(=O)OC1([SiH3])CCCCO1
InChIInChI=1S/C20H28O6Si2/c21-17(25-19(27)10-4-6-12-23-19)16(14-15-8-2-1-3-9-15)18(22)26-20(28)11-5-7-13-24-20/h1-3,8-9,14H,4-7,10-13H2,27-28H3
InChIKeyMMEDFYMLKSMVSB-UHFFFAOYSA-N
XLogP0.60
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.61
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate?
The IUPAC name of bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate (CID 123936417) is bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate.
What is the SMILES notation for bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate?
The canonical SMILES for bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate is O=C(OC1([SiH3])CCCCO1)C(=Cc1ccccc1)C(=O)OC1([SiH3])CCCCO1.
What is the InChIKey of bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate?
The InChIKey is MMEDFYMLKSMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O6Si2/c21-17(25-19(27)10-4-6-12-23-19)16(14-15-8-2-1-3-9-15)18(22)26-20(28)11-5-7-13-24-20/h1-3,8-9,14H,4-7,10-13H2,27-28H3.
What are the key properties of bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate?
bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate has a molecular weight of 420.61 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-silyloxan-2-yl) 2-benzylidenepropanedioate is sourced from PubChem (CID 123936417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).