bis(1-silylpropyl) (E)-but-2-enedioate

C10H20O4Si2 — CID 173179150

IUPACbis(1-silylpropyl) (E)-but-2-enedioate
SMILESCCC([SiH3])OC(=O)/C=C/C(=O)OC([SiH3])CC
InChIInChI=1S/C10H20O4Si2/c1-3-9(15)13-7(11)5-6-8(12)14-10(16)4-2/h5-6,9-10H,3-4H2,1-2,15-16H3/b6-5+
InChIKeyVIVJVVKGTQFQKU-AATRIKPKSA-N
MW260.44 g/mol
LogP-1.17
Rot. Bonds6

About bis(1-silylpropyl) (E)-but-2-enedioate

bis(1-silylpropyl) (E)-but-2-enedioate (PubChem CID 173179150) has the molecular formula C10H20O4Si2 and a molecular weight of 260.44 g/mol. Its IUPAC name is bis(1-silylpropyl) (E)-but-2-enedioate.

Molecular Properties

Compound Namebis(1-silylpropyl) (E)-but-2-enedioate
PubChem CID173179150
Molecular FormulaC10H20O4Si2
Molecular Weight260.44 g/mol
Exact Mass260.09
IUPAC Namebis(1-silylpropyl) (E)-but-2-enedioate
SMILESCCC([SiH3])OC(=O)/C=C/C(=O)OC([SiH3])CC
InChIInChI=1S/C10H20O4Si2/c1-3-9(15)13-7(11)5-6-8(12)14-10(16)4-2/h5-6,9-10H,3-4H2,1-2,15-16H3/b6-5+
InChIKeyVIVJVVKGTQFQKU-AATRIKPKSA-N
XLogP-1.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
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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Related Compounds

bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
1-silylpropyl acetate
CID 173180610
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
bis(1-aminobutyl) (E)-but-2-enedioate
CID 87656163
bis[1-(ethylamino)propyl] (Z)-but-2-enedioate
CID 88732806
dipentan-3-yl hexa-2,4-dienedioate
CID 123772467
bis(1-propylsilylpropyl) (E)-but-2-enedioate
CID 173067176
4-O-pentan-3-yl 1-O-propyl (E)-but-2-enedioate
CID 91717412
1-silylpropyl 3-methoxy-2-methylprop-2-enoate
CID 175355703
1-O-(2-methylpropyl) 4-O-pentan-3-yl (E)-but-2-enedioate
CID 91721922
3-methylpentan-2-yl but-2-enoate
CID 86762558
(E)-4-(4-methylhexan-2-yloxy)-4-oxobut-2-enoic acid
CID 150811634

Frequently Asked Questions

What is the IUPAC name of bis(1-silylpropyl) (E)-but-2-enedioate?
The IUPAC name of bis(1-silylpropyl) (E)-but-2-enedioate (CID 173179150) is bis(1-silylpropyl) (E)-but-2-enedioate.
What is the SMILES notation for bis(1-silylpropyl) (E)-but-2-enedioate?
The canonical SMILES for bis(1-silylpropyl) (E)-but-2-enedioate is CCC([SiH3])OC(=O)/C=C/C(=O)OC([SiH3])CC.
What is the InChIKey of bis(1-silylpropyl) (E)-but-2-enedioate?
The InChIKey is VIVJVVKGTQFQKU-AATRIKPKSA-N. The full InChI is InChI=1S/C10H20O4Si2/c1-3-9(15)13-7(11)5-6-8(12)14-10(16)4-2/h5-6,9-10H,3-4H2,1-2,15-16H3/b6-5+.
What are the key properties of bis(1-silylpropyl) (E)-but-2-enedioate?
bis(1-silylpropyl) (E)-but-2-enedioate has a molecular weight of 260.44 g/mol, XLogP of -1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-silylpropyl) (E)-but-2-enedioate is sourced from PubChem (CID 173179150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).