(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid

C16H36O6Si4 — CID 173341397

IUPAC(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid
SMILESC[SiH2]O[Si](C)(C)C(C)(C)/C(C(=O)O)=C(\C(=O)O)C(C)(C)[Si](C)(C)O[SiH2]C
InChIInChI=1S/C16H36O6Si4/c1-15(2,25(7,8)21-23-5)11(13(17)18)12(14(19)20)16(3,4)26(9,10)22-24-6/h23-24H2,1-10H3,(H,17,18)(H,19,20)/b12-11+
InChIKeyGRFRNVOKUAJQFX-VAWYXSNFSA-N
MW436.80 g/mol
LogP2.72
Rot. Bonds10

About (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid

(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid (PubChem CID 173341397) has the molecular formula C16H36O6Si4 and a molecular weight of 436.80 g/mol. Its IUPAC name is (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid
PubChem CID173341397
Molecular FormulaC16H36O6Si4
Molecular Weight436.80 g/mol
Exact Mass436.16
IUPAC Name(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid
SMILESC[SiH2]O[Si](C)(C)C(C)(C)/C(C(=O)O)=C(\C(=O)O)C(C)(C)[Si](C)(C)O[SiH2]C
InChIInChI=1S/C16H36O6Si4/c1-15(2,25(7,8)21-23-5)11(13(17)18)12(14(19)20)16(3,4)26(9,10)22-24-6/h23-24H2,1-10H3,(H,17,18)(H,19,20)/b12-11+
InChIKeyGRFRNVOKUAJQFX-VAWYXSNFSA-N
XLogP2.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid?
The IUPAC name of (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid (CID 173341397) is (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid.
What is the SMILES notation for (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid?
The canonical SMILES for (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid is C[SiH2]O[Si](C)(C)C(C)(C)/C(C(=O)O)=C(\C(=O)O)C(C)(C)[Si](C)(C)O[SiH2]C.
What is the InChIKey of (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid?
The InChIKey is GRFRNVOKUAJQFX-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H36O6Si4/c1-15(2,25(7,8)21-23-5)11(13(17)18)12(14(19)20)16(3,4)26(9,10)22-24-6/h23-24H2,1-10H3,(H,17,18)(H,19,20)/b12-11+.
What are the key properties of (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid?
(E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid has a molecular weight of 436.80 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis[2-[dimethyl(methylsilyloxy)silyl]propan-2-yl]but-2-enedioic acid is sourced from PubChem (CID 173341397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).