acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate

C19H34O6Si2 — CID 91279706

IUPACacetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
SMILESC=CC1CC(C=C)C(C(=O)O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C.CC(=O)O
InChIInChI=1S/C17H30O4Si2.C2H4O2/c1-9-12-11-13(10-2)15(17(19)21-23(6,7)8)14(12)16(18)20-22(3,4)5;1-2(3)4/h9-10,12-15H,1-2,11H2,3-8H3;1H3,(H,3,4)
InChIKeyVKNBSPTYQJSWKA-UHFFFAOYSA-N
MW414.65 g/mol
LogP4.07
Rot. Bonds6

About acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate

acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate (PubChem CID 91279706) has the molecular formula C19H34O6Si2 and a molecular weight of 414.65 g/mol. Its IUPAC name is acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Nameacetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
PubChem CID91279706
Molecular FormulaC19H34O6Si2
Molecular Weight414.65 g/mol
Exact Mass414.19
IUPAC Nameacetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate
SMILESC=CC1CC(C=C)C(C(=O)O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C.CC(=O)O
InChIInChI=1S/C17H30O4Si2.C2H4O2/c1-9-12-11-13(10-2)15(17(19)21-23(6,7)8)14(12)16(18)20-22(3,4)5;1-2(3)4/h9-10,12-15H,1-2,11H2,3-8H3;1H3,(H,3,4)
InChIKeyVKNBSPTYQJSWKA-UHFFFAOYSA-N
XLogP4.07
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.65
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
The IUPAC name of acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate (CID 91279706) is acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate.
What is the SMILES notation for acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
The canonical SMILES for acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate is C=CC1CC(C=C)C(C(=O)O[Si](C)(C)C)C1C(=O)O[Si](C)(C)C.CC(=O)O.
What is the InChIKey of acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
The InChIKey is VKNBSPTYQJSWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4Si2.C2H4O2/c1-9-12-11-13(10-2)15(17(19)21-23(6,7)8)14(12)16(18)20-22(3,4)5;1-2(3)4/h9-10,12-15H,1-2,11H2,3-8H3;1H3,(H,3,4).
What are the key properties of acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate?
acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate has a molecular weight of 414.65 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(trimethylsilyl) 3,5-bis(ethenyl)cyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 91279706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).