bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate

C22H38O8Si2 — CID 59550486

IUPACbis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate
SMILESCC[Si](C)(CCCC(C(=O)OC1(C)CCC(=O)O1)C(=O)OC1(C)CCC(=O)O1)C[SiH](C)C
InChIInChI=1S/C22H38O8Si2/c1-7-32(6,15-31(4)5)14-8-9-16(19(25)29-21(2)12-10-17(23)27-21)20(26)30-22(3)13-11-18(24)28-22/h16,31H,7-15H2,1-6H3
InChIKeyHMPZHJFMHQBWGP-UHFFFAOYSA-N
MW486.71 g/mol
LogP3.70
Rot. Bonds11

About bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate

bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate (PubChem CID 59550486) has the molecular formula C22H38O8Si2 and a molecular weight of 486.71 g/mol. Its IUPAC name is bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate.

Molecular Properties

Compound Namebis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate
PubChem CID59550486
Molecular FormulaC22H38O8Si2
Molecular Weight486.71 g/mol
Exact Mass486.21
IUPAC Namebis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate
SMILESCC[Si](C)(CCCC(C(=O)OC1(C)CCC(=O)O1)C(=O)OC1(C)CCC(=O)O1)C[SiH](C)C
InChIInChI=1S/C22H38O8Si2/c1-7-32(6,15-31(4)5)14-8-9-16(19(25)29-21(2)12-10-17(23)27-21)20(26)30-22(3)13-11-18(24)28-22/h16,31H,7-15H2,1-6H3
InChIKeyHMPZHJFMHQBWGP-UHFFFAOYSA-N
XLogP3.70
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.71
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate?
The IUPAC name of bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate (CID 59550486) is bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate.
What is the SMILES notation for bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate?
The canonical SMILES for bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate is CC[Si](C)(CCCC(C(=O)OC1(C)CCC(=O)O1)C(=O)OC1(C)CCC(=O)O1)C[SiH](C)C.
What is the InChIKey of bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate?
The InChIKey is HMPZHJFMHQBWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O8Si2/c1-7-32(6,15-31(4)5)14-8-9-16(19(25)29-21(2)12-10-17(23)27-21)20(26)30-22(3)13-11-18(24)28-22/h16,31H,7-15H2,1-6H3.
What are the key properties of bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate?
bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate has a molecular weight of 486.71 g/mol, XLogP of 3.70, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methyl-5-oxooxolan-2-yl) 2-[3-(dimethylsilylmethyl-ethyl-methylsilyl)propyl]propanedioate is sourced from PubChem (CID 59550486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).