2-trimethylsilylethyl 5-oxopentanoate

C10H20O3Si — CID 11127685

IUPAC2-trimethylsilylethyl 5-oxopentanoate
SMILESC[Si](C)(C)CCOC(=O)CCCC=O
InChIInChI=1S/C10H20O3Si/c1-14(2,3)9-8-13-10(12)6-4-5-7-11/h7H,4-6,8-9H2,1-3H3
InChIKeyBOJKZUCHNJJJGJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.24
Rot. Bonds7

About 2-trimethylsilylethyl 5-oxopentanoate

2-trimethylsilylethyl 5-oxopentanoate (PubChem CID 11127685) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-trimethylsilylethyl 5-oxopentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 5-oxopentanoate
PubChem CID11127685
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name2-trimethylsilylethyl 5-oxopentanoate
SMILESC[Si](C)(C)CCOC(=O)CCCC=O
InChIInChI=1S/C10H20O3Si/c1-14(2,3)9-8-13-10(12)6-4-5-7-11/h7H,4-6,8-9H2,1-3H3
InChIKeyBOJKZUCHNJJJGJ-UHFFFAOYSA-N
XLogP2.24
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl heptanoate
CID 141105261
5-oxopentyl pentanoate
CID 172587572
5-oxopentyl butanoate
CID 54119042
5-oxo-N-(3-trimethylsilylpropyl)pentanamide
CID 18730827
2-hydroxyethyl 12-oxododec-6-enoate
CID 57104465
ethyl 20-oxoicosanoate;methanol
CID 177225570
bis(5-oxopentanoyl) decanedioate
CID 175084020
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
8-trimethylsilyloctanal
CID 164916238
1-O-prop-2-enyl 12-O-(2-trimethylsilylethyl) 3,10-dioxododecanedioate
CID 102409570
2-trimethylsilylethyl 3,10-dioxoundecanoate
CID 102409566
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 5-oxopentanoate?
The IUPAC name of 2-trimethylsilylethyl 5-oxopentanoate (CID 11127685) is 2-trimethylsilylethyl 5-oxopentanoate.
What is the SMILES notation for 2-trimethylsilylethyl 5-oxopentanoate?
The canonical SMILES for 2-trimethylsilylethyl 5-oxopentanoate is C[Si](C)(C)CCOC(=O)CCCC=O.
What is the InChIKey of 2-trimethylsilylethyl 5-oxopentanoate?
The InChIKey is BOJKZUCHNJJJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-14(2,3)9-8-13-10(12)6-4-5-7-11/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 5-oxopentanoate?
2-trimethylsilylethyl 5-oxopentanoate has a molecular weight of 216.35 g/mol, XLogP of 2.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 5-oxopentanoate is sourced from PubChem (CID 11127685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).