dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate

C20H44O4Si4 — CID 10742659

IUPACdimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate
SMILESC=CCC(CC(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC)C(=O)OC
InChIInChI=1S/C20H44O4Si4/c1-13-14-17(19(21)23-2)15-18(20(22)24-3)16-28(25(4,5)6,26(7,8)9)27(10,11)12/h13,17-18H,1,14-16H2,2-12H3
InChIKeyJSLPWZPTGMAABE-UHFFFAOYSA-N
MW460.91 g/mol
LogP5.23
Rot. Bonds11

About dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate

dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate (PubChem CID 10742659) has the molecular formula C20H44O4Si4 and a molecular weight of 460.91 g/mol. Its IUPAC name is dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate.

Molecular Properties

Compound Namedimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate
PubChem CID10742659
Molecular FormulaC20H44O4Si4
Molecular Weight460.91 g/mol
Exact Mass460.23
IUPAC Namedimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate
SMILESC=CCC(CC(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC)C(=O)OC
InChIInChI=1S/C20H44O4Si4/c1-13-14-17(19(21)23-2)15-18(20(22)24-3)16-28(25(4,5)6,26(7,8)9)27(10,11)12/h13,17-18H,1,14-16H2,2-12H3
InChIKeyJSLPWZPTGMAABE-UHFFFAOYSA-N
XLogP5.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.91
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate?
The IUPAC name of dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate (CID 10742659) is dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate.
What is the SMILES notation for dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate?
The canonical SMILES for dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate is C=CCC(CC(C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate?
The InChIKey is JSLPWZPTGMAABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O4Si4/c1-13-14-17(19(21)23-2)15-18(20(22)24-3)16-28(25(4,5)6,26(7,8)9)27(10,11)12/h13,17-18H,1,14-16H2,2-12H3.
What are the key properties of dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate?
dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate has a molecular weight of 460.91 g/mol, XLogP of 5.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-prop-2-enyl-4-[tris(trimethylsilyl)silylmethyl]pentanedioate is sourced from PubChem (CID 10742659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).