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

C16H32O4Si2 — CID 173067176

IUPACbis(1-propylsilylpropyl) (E)-but-2-enedioate
SMILESCCC[SiH2]C(CC)OC(=O)/C=C/C(=O)OC(CC)[SiH2]CCC
InChIInChI=1S/C16H32O4Si2/c1-5-11-21-15(7-3)19-13(17)9-10-14(18)20-16(8-4)22-12-6-2/h9-10,15-16H,5-8,11-12,21-22H2,1-4H3/b10-9+
InChIKeyCKELNRZBUHABBO-MDZDMXLPSA-N
MW344.60 g/mol
LogP2.10
Rot. Bonds12

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

bis(1-propylsilylpropyl) (E)-but-2-enedioate (PubChem CID 173067176) has the molecular formula C16H32O4Si2 and a molecular weight of 344.60 g/mol. Its IUPAC name is bis(1-propylsilylpropyl) (E)-but-2-enedioate.

Molecular Properties

Compound Namebis(1-propylsilylpropyl) (E)-but-2-enedioate
PubChem CID173067176
Molecular FormulaC16H32O4Si2
Molecular Weight344.60 g/mol
Exact Mass344.18
IUPAC Namebis(1-propylsilylpropyl) (E)-but-2-enedioate
SMILESCCC[SiH2]C(CC)OC(=O)/C=C/C(=O)OC(CC)[SiH2]CCC
InChIInChI=1S/C16H32O4Si2/c1-5-11-21-15(7-3)19-13(17)9-10-14(18)20-16(8-4)22-12-6-2/h9-10,15-16H,5-8,11-12,21-22H2,1-4H3/b10-9+
InChIKeyCKELNRZBUHABBO-MDZDMXLPSA-N
XLogP2.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 52.10
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

4-O-hexan-3-yl 1-O-(2-methylpropyl) (E)-but-2-enedioate
CID 91721924
dioctan-4-yl (E)-but-2-enedioate
CID 91734309
bis(1-hydroxypropyl) (E)-but-2-enedioate
CID 87089328
butane;dipropan-2-yl (E)-but-2-enedioate
CID 90185025
bis(1-silylpropyl) (E)-but-2-enedioate
CID 173179150
bis(1-aminobutyl) (E)-but-2-enedioate
CID 87656163
1-O-nonyl 4-O-octan-4-yl (E)-but-2-enedioate
CID 91735998
1-O-heptyl 4-O-octan-4-yl (E)-but-2-enedioate
CID 91732442
didodecan-5-yl (E)-but-2-enedioate
CID 87334763
4-O-pentan-3-yl 1-O-propyl (E)-but-2-enedioate
CID 91717412
4-O-pentan-3-yl 1-O-undecyl (E)-but-2-enedioate
CID 91709992
butan-2-yl (Z)-4-oxo-4-(propylamino)but-2-enoate
CID 139690830

Frequently Asked Questions

What is the IUPAC name of bis(1-propylsilylpropyl) (E)-but-2-enedioate?
The IUPAC name of bis(1-propylsilylpropyl) (E)-but-2-enedioate (CID 173067176) is bis(1-propylsilylpropyl) (E)-but-2-enedioate.
What is the SMILES notation for bis(1-propylsilylpropyl) (E)-but-2-enedioate?
The canonical SMILES for bis(1-propylsilylpropyl) (E)-but-2-enedioate is CCC[SiH2]C(CC)OC(=O)/C=C/C(=O)OC(CC)[SiH2]CCC.
What is the InChIKey of bis(1-propylsilylpropyl) (E)-but-2-enedioate?
The InChIKey is CKELNRZBUHABBO-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H32O4Si2/c1-5-11-21-15(7-3)19-13(17)9-10-14(18)20-16(8-4)22-12-6-2/h9-10,15-16H,5-8,11-12,21-22H2,1-4H3/b10-9+.
What are the key properties of bis(1-propylsilylpropyl) (E)-but-2-enedioate?
bis(1-propylsilylpropyl) (E)-but-2-enedioate has a molecular weight of 344.60 g/mol, XLogP of 2.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-propylsilylpropyl) (E)-but-2-enedioate is sourced from PubChem (CID 173067176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).