2-(3-ethylpentan-3-ylsilyl)ethyl acetate

C11H24O2Si — CID 123736542

IUPAC2-(3-ethylpentan-3-ylsilyl)ethyl acetate
SMILESCCC(CC)(CC)[SiH2]CCOC(C)=O
InChIInChI=1S/C11H24O2Si/c1-5-11(6-2,7-3)14-9-8-13-10(4)12/h5-9,14H2,1-4H3
InChIKeyFJGBYQAIDUPMBA-UHFFFAOYSA-N
MW216.40 g/mol
LogP2.53
Rot. Bonds7

About 2-(3-ethylpentan-3-ylsilyl)ethyl acetate

2-(3-ethylpentan-3-ylsilyl)ethyl acetate (PubChem CID 123736542) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 2-(3-ethylpentan-3-ylsilyl)ethyl acetate.

Molecular Properties

Compound Name2-(3-ethylpentan-3-ylsilyl)ethyl acetate
PubChem CID123736542
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name2-(3-ethylpentan-3-ylsilyl)ethyl acetate
SMILESCCC(CC)(CC)[SiH2]CCOC(C)=O
InChIInChI=1S/C11H24O2Si/c1-5-11(6-2,7-3)14-9-8-13-10(4)12/h5-9,14H2,1-4H3
InChIKeyFJGBYQAIDUPMBA-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

propyl acetate;hydrate
CID 122690555
4,4-diethylhexyl acetate
CID 150852527
2-acetyloxyethyl acetate;hexane
CID 137406148
4,4-dimethylhexyl acetate
CID 90020632
magnesium;hydride;pentyl acetate
CID 174803356
11-acetyloxyundecyl acetate
CID 87784419
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
7,7-diethylnonyl acetate
CID 161418665
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
2-acetyloxyethyl(triethyl)azanium bromide
CID 24833373
magnesium;hydride;nonyl acetate
CID 174803218
hex-3-ynyl acetate
CID 11622344

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpentan-3-ylsilyl)ethyl acetate?
The IUPAC name of 2-(3-ethylpentan-3-ylsilyl)ethyl acetate (CID 123736542) is 2-(3-ethylpentan-3-ylsilyl)ethyl acetate.
What is the SMILES notation for 2-(3-ethylpentan-3-ylsilyl)ethyl acetate?
The canonical SMILES for 2-(3-ethylpentan-3-ylsilyl)ethyl acetate is CCC(CC)(CC)[SiH2]CCOC(C)=O.
What is the InChIKey of 2-(3-ethylpentan-3-ylsilyl)ethyl acetate?
The InChIKey is FJGBYQAIDUPMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-5-11(6-2,7-3)14-9-8-13-10(4)12/h5-9,14H2,1-4H3.
What are the key properties of 2-(3-ethylpentan-3-ylsilyl)ethyl acetate?
2-(3-ethylpentan-3-ylsilyl)ethyl acetate has a molecular weight of 216.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpentan-3-ylsilyl)ethyl acetate is sourced from PubChem (CID 123736542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).