2-trimethylsilylethyl 2,4,4-trimethylpentanoate

C13H28O2Si — CID 123363662

IUPAC2-trimethylsilylethyl 2,4,4-trimethylpentanoate
SMILESCC(CC(C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(10-13(2,3)4)12(14)15-8-9-16(5,6)7/h11H,8-10H2,1-7H3
InChIKeyWKAYFWVBRFTUIF-UHFFFAOYSA-N
MW244.45 g/mol
LogP3.94
Rot. Bonds5

About 2-trimethylsilylethyl 2,4,4-trimethylpentanoate

2-trimethylsilylethyl 2,4,4-trimethylpentanoate (PubChem CID 123363662) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,4,4-trimethylpentanoate
PubChem CID123363662
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name2-trimethylsilylethyl 2,4,4-trimethylpentanoate
SMILESCC(CC(C)(C)C)C(=O)OCC[Si](C)(C)C
InChIInChI=1S/C13H28O2Si/c1-11(10-13(2,3)4)12(14)15-8-9-16(5,6)7/h11H,8-10H2,1-7H3
InChIKeyWKAYFWVBRFTUIF-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-trimethylsilylethyl (2R)-2-methylpent-4-ynoate
CID 160645931
2-(2-ethoxyethoxy)ethyl 2,4,4-trimethylpentanoate
CID 166669949
2-prop-2-enoyloxyethyl 2,4,4-trimethylpentanoate
CID 134267929
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
2-trimethylsilylethyl (2S)-2-[[(2S)-2-methylpentanoyl]amino]pentanoate
CID 59061501
2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 174938444
2-trimethylsilylethyl 3,3-dimethyl-2-oxobutanoate
CID 15363461
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859
2-trimethylsilylethyl 2-aminooxy-2-methylpropanoate
CID 21244454
4-methylpentan-2-yl 2,4,4-trimethylpentanoate
CID 123586780
bis(2-trimethylsilylethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 162728324

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2,4,4-trimethylpentanoate?
The IUPAC name of 2-trimethylsilylethyl 2,4,4-trimethylpentanoate (CID 123363662) is 2-trimethylsilylethyl 2,4,4-trimethylpentanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2,4,4-trimethylpentanoate?
The canonical SMILES for 2-trimethylsilylethyl 2,4,4-trimethylpentanoate is CC(CC(C)(C)C)C(=O)OCC[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2,4,4-trimethylpentanoate?
The InChIKey is WKAYFWVBRFTUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-11(10-13(2,3)4)12(14)15-8-9-16(5,6)7/h11H,8-10H2,1-7H3.
What are the key properties of 2-trimethylsilylethyl 2,4,4-trimethylpentanoate?
2-trimethylsilylethyl 2,4,4-trimethylpentanoate has a molecular weight of 244.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,4,4-trimethylpentanoate is sourced from PubChem (CID 123363662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).