1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid

C22H44O8Si2 — CID 159502515

IUPAC1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid
SMILESCC(CCC(=O)O)(CC[Si](C)(C)C)C(=O)O.COC(=O)CCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/2C11H22O4Si/c1-11(10(14)15,6-5-9(12)13)7-8-16(2,3)4;1-14-10(12)6-5-7-11(13)15-8-9-16(2,3)4/h5-8H2,1-4H3,(H,12,13)(H,14,15);5-9H2,1-4H3
InChIKeyLZOKKJWRUDAHIC-UHFFFAOYSA-N
MW492.76 g/mol
LogP4.88
Rot. Bonds14

About 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid

1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid (PubChem CID 159502515) has the molecular formula C22H44O8Si2 and a molecular weight of 492.76 g/mol. Its IUPAC name is 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid.

Molecular Properties

Compound Name1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid
PubChem CID159502515
Molecular FormulaC22H44O8Si2
Molecular Weight492.76 g/mol
Exact Mass492.26
IUPAC Name1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid
SMILESCC(CCC(=O)O)(CC[Si](C)(C)C)C(=O)O.COC(=O)CCCC(=O)OCC[Si](C)(C)C
InChIInChI=1S/2C11H22O4Si/c1-11(10(14)15,6-5-9(12)13)7-8-16(2,3)4;1-14-10(12)6-5-7-11(13)15-8-9-16(2,3)4/h5-8H2,1-4H3,(H,12,13)(H,14,15);5-9H2,1-4H3
InChIKeyLZOKKJWRUDAHIC-UHFFFAOYSA-N
XLogP4.88
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.76
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-O-methyl 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 59950490
3,3-Dimethyl-5-oxo-5-(2-trimethylsilylethoxy)pentanoic acid
CID 15000779
2-Ethyl-2,4,4-trimethyl-5-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-5-oxopentanoic acid
CID 18684364
2-Ethyl-4-methoxycarbonyl-2,4,6,6-tetramethyl-7-[2-methyl-4-tris(trimethylsilyloxy)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684366
1-O-methyl 5-O-(3-trimethylsilylpropyl) 4-ethyl-2,2,4-trimethylpentanedioate
CID 20729167
7-Ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid
CID 22982942
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023
4-Methoxycarbonyl-2,4,6-trimethyl-6-(3-trihydroxysilylpropoxycarbonyl)octanoic acid
CID 57573711
1-O-(2-hydroxyethyl) 5-O-(3-trimethoxysilylpropyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 57931559
1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate
CID 58108481
5-[2-[3-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]ethoxy]-3,3-dimethyl-5-oxopentanoic acid
CID 58113143
1-O-(2-hydroxyethyl) 5-O-[3-[hydroxymethyl(dimethoxy)silyl]propyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 58338810

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid?
The IUPAC name of 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid (CID 159502515) is 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid.
What is the SMILES notation for 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid?
The canonical SMILES for 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid is CC(CCC(=O)O)(CC[Si](C)(C)C)C(=O)O.COC(=O)CCCC(=O)OCC[Si](C)(C)C.
What is the InChIKey of 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid?
The InChIKey is LZOKKJWRUDAHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O4Si/c1-11(10(14)15,6-5-9(12)13)7-8-16(2,3)4;1-14-10(12)6-5-7-11(13)15-8-9-16(2,3)4/h5-8H2,1-4H3,(H,12,13)(H,14,15);5-9H2,1-4H3.
What are the key properties of 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid?
1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid has a molecular weight of 492.76 g/mol, XLogP of 4.88, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(2-trimethylsilylethyl) pentanedioate;2-methyl-2-(2-trimethylsilylethyl)pentanedioic acid is sourced from PubChem (CID 159502515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).