1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate

C17H34O7Si — CID 59950490

IUPAC1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C17H34O7Si/c1-9-17(4,15(19)20-5)13-16(2,3)14(18)24-11-10-12-25(21-6,22-7)23-8/h9-13H2,1-8H3
InChIKeyQWWNLTZXUBYHRY-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.80
Rot. Bonds12

About 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate

1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate (PubChem CID 59950490) has the molecular formula C17H34O7Si and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
PubChem CID59950490
Molecular FormulaC17H34O7Si
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)OC
InChIInChI=1S/C17H34O7Si/c1-9-17(4,15(19)20-5)13-16(2,3)14(18)24-11-10-12-25(21-6,22-7)23-8/h9-13H2,1-8H3
InChIKeyQWWNLTZXUBYHRY-UHFFFAOYSA-N
XLogP2.80
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.80
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'}

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Related Compounds

1,3-Di(isobutoxycarbonyl)-2,4,4-trimethylpentane
CID 118496143
1-O-[3-[hydroxymethyl(dimethoxy)silyl]propyl] 5-O-(3,3,5,5-tetrafluorohexyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 88858019
5-O-ethyl 1-O,3-O-dimethyl 1,3-bis(trimethylsilyl)pentane-1,3,5-tricarboxylate
CID 14531359
1-O-ethyl 3-O,5-O-dimethyl 1,3,5-tris(trimethylsilyl)pentane-1,3,5-tricarboxylate
CID 14531363
Bis(2-methylpropyl) 3-methyl-3-(2-methylpropyl)pentanedioate
CID 18618089
1-O-methyl 5-O-(trimethoxysilylmethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 20643559
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20729167
1-O-ethyl 5-O-methyl 2-ethyl-2,4,4-trimethylpentanedioate
CID 20750483
CID 21057450
CID 21057450
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 5-O-methyl 4-ethyl-2,2-dimethylpentanedioate
CID 22090165
Dibutyl 2,2-diethylpentanedioate
CID 22939790
1-O-tert-butyl 5-O-(3-trimethoxysilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 23393508

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate (CID 59950490) is 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate is CCC(C)(CC(C)(C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)OC.
What is the InChIKey of 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate?
The InChIKey is QWWNLTZXUBYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O7Si/c1-9-17(4,15(19)20-5)13-16(2,3)14(18)24-11-10-12-25(21-6,22-7)23-8/h9-13H2,1-8H3.
What are the key properties of 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate?
1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate has a molecular weight of 378.54 g/mol, XLogP of 2.80, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate is sourced from PubChem (CID 59950490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).