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

C17H34O4Si — CID 20729167

IUPAC1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C17H34O4Si/c1-9-17(4,13-16(2,3)14(18)20-5)15(19)21-11-10-12-22(6,7)8/h9-13H2,1-8H3
InChIKeyHAJVPDMPJHFJGL-UHFFFAOYSA-N
MW330.54 g/mol
LogP4.26
Rot. Bonds9

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

1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate (PubChem CID 20729167) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
PubChem CID20729167
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCC[Si](C)(C)C
InChIInChI=1S/C17H34O4Si/c1-9-17(4,13-16(2,3)14(18)20-5)15(19)21-11-10-12-22(6,7)8/h9-13H2,1-8H3
InChIKeyHAJVPDMPJHFJGL-UHFFFAOYSA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 59950490
1-O-[3-[hydroxymethyl(dimethoxy)silyl]propyl] 5-O-(3,3,5,5-tetrafluorohexyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 88858019
Dimethyl 2-ethyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435995
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-ethyl 5-O-methyl 2-ethyl-2,4,4-trimethylpentanedioate
CID 20750483
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
5-Butoxy-2-ethyl-2,4,4-trimethyl-5-oxopentanoate
CID 23528125
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate (CID 20729167) is 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate is CCC(C)(CC(C)(C)C(=O)OC)C(=O)OCCC[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate?
The InChIKey is HAJVPDMPJHFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-9-17(4,13-16(2,3)14(18)20-5)15(19)21-11-10-12-22(6,7)8/h9-13H2,1-8H3.
What are the key properties of 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate?
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate has a molecular weight of 330.54 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate is sourced from PubChem (CID 20729167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).