2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid

C16H32O7Si — CID 58351310

IUPAC2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)O
InChIInChI=1S/C16H32O7Si/c1-8-16(4,13(17)18)12-15(2,3)14(19)23-10-9-11-24(20-5,21-6)22-7/h8-12H2,1-7H3,(H,17,18)
InChIKeyMLWWRTRNZOPQLM-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.71
Rot. Bonds12

About 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid

2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid (PubChem CID 58351310) has the molecular formula C16H32O7Si and a molecular weight of 364.51 g/mol. Its IUPAC name is 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid
PubChem CID58351310
Molecular FormulaC16H32O7Si
Molecular Weight364.51 g/mol
Exact Mass364.19
IUPAC Name2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid
SMILESCCC(C)(CC(C)(C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)O
InChIInChI=1S/C16H32O7Si/c1-8-16(4,13(17)18)12-15(2,3)14(19)23-10-9-11-24(20-5,21-6)22-7/h8-12H2,1-7H3,(H,17,18)
InChIKeyMLWWRTRNZOPQLM-UHFFFAOYSA-N
XLogP2.71
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid?
The IUPAC name of 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid (CID 58351310) is 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid.
What is the SMILES notation for 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid?
The canonical SMILES for 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid is CCC(C)(CC(C)(C)C(=O)OCCC[Si](OC)(OC)OC)C(=O)O.
What is the InChIKey of 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid?
The InChIKey is MLWWRTRNZOPQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7Si/c1-8-16(4,13(17)18)12-15(2,3)14(19)23-10-9-11-24(20-5,21-6)22-7/h8-12H2,1-7H3,(H,17,18).
What are the key properties of 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid?
2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid has a molecular weight of 364.51 g/mol, XLogP of 2.71, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4,4-trimethyl-5-oxo-5-(3-trimethoxysilylpropoxy)pentanoic acid is sourced from PubChem (CID 58351310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).