methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate

C10H21FO2Si — CID 10353428

IUPACmethyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
SMILESCOC(=O)[C@H](C)C(C(C)C)[Si](C)(C)F
InChIInChI=1S/C10H21FO2Si/c1-7(2)9(14(5,6)11)8(3)10(12)13-4/h7-9H,1-6H3/t8-,9?/m1/s1
InChIKeyCRATVAPSMHEKDY-VEDVMXKPSA-N
MW220.36 g/mol
LogP3.00
Rot. Bonds4

About methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate

methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate (PubChem CID 10353428) has the molecular formula C10H21FO2Si and a molecular weight of 220.36 g/mol. Its IUPAC name is methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
PubChem CID10353428
Molecular FormulaC10H21FO2Si
Molecular Weight220.36 g/mol
Exact Mass220.13
IUPAC Namemethyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate
SMILESCOC(=O)[C@H](C)C(C(C)C)[Si](C)(C)F
InChIInChI=1S/C10H21FO2Si/c1-7(2)9(14(5,6)11)8(3)10(12)13-4/h7-9H,1-6H3/t8-,9?/m1/s1
InChIKeyCRATVAPSMHEKDY-VEDVMXKPSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpentanoic acid trimethylsilyl ester
CID 13862003
4-Methylvaleric acid, dimethyl(3,3,3-trifluoropropyl)silyl ester
CID 91694224
4-Methylvaleric acid, trimethylsilyl ester
CID 554430
Ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
Methyl 4-(trimethylsilylmethyl)hexanoate
CID 14712721
4-Methylvaleric acid, tert-butyldimethylsilyl ester
CID 554785
Propyl 2-(trimethylsilylmethyl)cyclo-propanecarboxylate
CID 13658051
Methyl 2-[[methoxy-di(propan-2-yl)silyl]methyl]cyclopropane-1-carboxylate
CID 91573439
Methyl 5-trimethylsilylpentanoate
CID 129828491
ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate
CID 138984010
Ethyl 3-ethyl-2-trimethylsilylpentanoate
CID 145865785
Ethyl 3-methyl-2-trimethylsilylpentanoate
CID 145865786

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate?
The IUPAC name of methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate (CID 10353428) is methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate.
What is the SMILES notation for methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate?
The canonical SMILES for methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate is COC(=O)[C@H](C)C(C(C)C)[Si](C)(C)F.
What is the InChIKey of methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate?
The InChIKey is CRATVAPSMHEKDY-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H21FO2Si/c1-7(2)9(14(5,6)11)8(3)10(12)13-4/h7-9H,1-6H3/t8-,9?/m1/s1.
What are the key properties of methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate?
methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate has a molecular weight of 220.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-3-[fluoro(dimethyl)silyl]-2,4-dimethylpentanoate is sourced from PubChem (CID 10353428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).