1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate

C15H26O7Si — CID 57226793

IUPAC1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate
SMILESC=C(CCC(=C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C15H26O7Si/c1-12(14(16)18-3)8-9-13(2)15(17)22-10-7-11-23(19-4,20-5)21-6/h1-2,7-11H2,3-6H3
InChIKeyBRHZWBYJFRTWSM-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.86
Rot. Bonds12

About 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate

1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate (PubChem CID 57226793) has the molecular formula C15H26O7Si and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate.

Molecular Properties

Compound Name1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate
PubChem CID57226793
Molecular FormulaC15H26O7Si
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate
SMILESC=C(CCC(=C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C15H26O7Si/c1-12(14(16)18-3)8-9-13(2)15(17)22-10-7-11-23(19-4,20-5)21-6/h1-2,7-11H2,3-6H3
InChIKeyBRHZWBYJFRTWSM-UHFFFAOYSA-N
XLogP1.86
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate?
The IUPAC name of 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate (CID 57226793) is 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate.
What is the SMILES notation for 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate?
The canonical SMILES for 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate is C=C(CCC(=C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)OC.
What is the InChIKey of 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate?
The InChIKey is BRHZWBYJFRTWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7Si/c1-12(14(16)18-3)8-9-13(2)15(17)22-10-7-11-23(19-4,20-5)21-6/h1-2,7-11H2,3-6H3.
What are the key properties of 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate?
1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate has a molecular weight of 346.45 g/mol, XLogP of 1.86, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 6-O-(3-trimethoxysilylpropyl) 2,5-dimethylidenehexanedioate is sourced from PubChem (CID 57226793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).