4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid

C20H38O8Si — CID 155765026

IUPAC4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)OCCOC)C(=O)O)C(=O)O[Si](C)(C)OC
InChIInChI=1S/C20H38O8Si/c1-10-19(4,17(24)28-29(8,9)26-7)14-20(5,15(21)22)13-18(2,3)16(23)27-12-11-25-6/h10-14H2,1-9H3,(H,21,22)
InChIKeyGPAOLGFIWFLONC-UHFFFAOYSA-N
MW434.60 g/mol
LogP3.38
Rot. Bonds13

About 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid

4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid (PubChem CID 155765026) has the molecular formula C20H38O8Si and a molecular weight of 434.60 g/mol. Its IUPAC name is 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid.

Molecular Properties

Compound Name4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid
PubChem CID155765026
Molecular FormulaC20H38O8Si
Molecular Weight434.60 g/mol
Exact Mass434.23
IUPAC Name4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)OCCOC)C(=O)O)C(=O)O[Si](C)(C)OC
InChIInChI=1S/C20H38O8Si/c1-10-19(4,17(24)28-29(8,9)26-7)14-20(5,15(21)22)13-18(2,3)16(23)27-12-11-25-6/h10-14H2,1-9H3,(H,21,22)
InChIKeyGPAOLGFIWFLONC-UHFFFAOYSA-N
XLogP3.38
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid?
The IUPAC name of 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid (CID 155765026) is 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid.
What is the SMILES notation for 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid?
The canonical SMILES for 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid is CCC(C)(CC(C)(CC(C)(C)C(=O)OCCOC)C(=O)O)C(=O)O[Si](C)(C)OC.
What is the InChIKey of 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid?
The InChIKey is GPAOLGFIWFLONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O8Si/c1-10-19(4,17(24)28-29(8,9)26-7)14-20(5,15(21)22)13-18(2,3)16(23)27-12-11-25-6/h10-14H2,1-9H3,(H,21,22).
What are the key properties of 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid?
4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid has a molecular weight of 434.60 g/mol, XLogP of 3.38, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(dimethyl)silyl]oxycarbonyl-2-[3-(2-methoxyethoxy)-2,2-dimethyl-3-oxopropyl]-2,4-dimethylhexanoic acid is sourced from PubChem (CID 155765026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).