ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate

C12H26O2Si — CID 138984010

IUPACethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate
SMILESCCOC(=O)[C@H]([C@@H](C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-14-12(13)11(15(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyKHQAQXITMFRPFP-QWRGUYRKSA-N
MW230.42 g/mol
LogP3.55
Rot. Bonds5

About ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate

ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate (PubChem CID 138984010) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate
PubChem CID138984010
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nameethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate
SMILESCCOC(=O)[C@H]([C@@H](C)C(C)C)[Si](C)(C)C
InChIInChI=1S/C12H26O2Si/c1-8-14-12(13)11(15(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3/t10-,11-/m0/s1
InChIKeyKHQAQXITMFRPFP-QWRGUYRKSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate?
The IUPAC name of ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate (CID 138984010) is ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate.
What is the SMILES notation for ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate?
The canonical SMILES for ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate is CCOC(=O)[C@H]([C@@H](C)C(C)C)[Si](C)(C)C.
What is the InChIKey of ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate?
The InChIKey is KHQAQXITMFRPFP-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-8-14-12(13)11(15(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3/t10-,11-/m0/s1.
What are the key properties of ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate?
ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate has a molecular weight of 230.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3S)-3,4-dimethyl-2-trimethylsilylpentanoate is sourced from PubChem (CID 138984010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).