dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate

C18H32O7Si — CID 101383510

IUPACdimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate
SMILESC=CCCC(CC(=C)[Si](OCC)(OCC)OCC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C18H32O7Si/c1-8-12-13-18(16(19)21-6,17(20)22-7)14-15(5)26(23-9-2,24-10-3)25-11-4/h8H,1,5,9-14H2,2-4,6-7H3
InChIKeyZAKYXUCBLAFJID-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.82
Rot. Bonds14

About dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate

dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate (PubChem CID 101383510) has the molecular formula C18H32O7Si and a molecular weight of 388.53 g/mol. Its IUPAC name is dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate
PubChem CID101383510
Molecular FormulaC18H32O7Si
Molecular Weight388.53 g/mol
Exact Mass388.19
IUPAC Namedimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate
SMILESC=CCCC(CC(=C)[Si](OCC)(OCC)OCC)(C(=O)OC)C(=O)OC
InChIInChI=1S/C18H32O7Si/c1-8-12-13-18(16(19)21-6,17(20)22-7)14-15(5)26(23-9-2,24-10-3)25-11-4/h8H,1,5,9-14H2,2-4,6-7H3
InChIKeyZAKYXUCBLAFJID-UHFFFAOYSA-N
XLogP2.82
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate?
The IUPAC name of dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate (CID 101383510) is dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate.
What is the SMILES notation for dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate?
The canonical SMILES for dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate is C=CCCC(CC(=C)[Si](OCC)(OCC)OCC)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate?
The InChIKey is ZAKYXUCBLAFJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O7Si/c1-8-12-13-18(16(19)21-6,17(20)22-7)14-15(5)26(23-9-2,24-10-3)25-11-4/h8H,1,5,9-14H2,2-4,6-7H3.
What are the key properties of dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate?
dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate has a molecular weight of 388.53 g/mol, XLogP of 2.82, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-but-3-enyl-2-(2-triethoxysilylprop-2-enyl)propanedioate is sourced from PubChem (CID 101383510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).