ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate

C15H30O2Si — CID 138984104

IUPACethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate
SMILESCCOC(=O)[C@H]([C@@H](C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-6-17-15(16)14(18(3,4)5)12(2)13-10-8-7-9-11-13/h12-14H,6-11H2,1-5H3/t12-,14-/m0/s1
InChIKeyDQRYGFRIOVHDBM-JSGCOSHPSA-N
MW270.49 g/mol
LogP4.47
Rot. Bonds5

About ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate

ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate (PubChem CID 138984104) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate.

Molecular Properties

Compound Nameethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate
PubChem CID138984104
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nameethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate
SMILESCCOC(=O)[C@H]([C@@H](C)C1CCCCC1)[Si](C)(C)C
InChIInChI=1S/C15H30O2Si/c1-6-17-15(16)14(18(3,4)5)12(2)13-10-8-7-9-11-13/h12-14H,6-11H2,1-5H3/t12-,14-/m0/s1
InChIKeyDQRYGFRIOVHDBM-JSGCOSHPSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.47
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-cyclohexyl-2-trimethylsilylbutanoate?
The IUPAC name of ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate (CID 138984104) is ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate.
What is the SMILES notation for ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate?
The canonical SMILES for ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate is CCOC(=O)[C@H]([C@@H](C)C1CCCCC1)[Si](C)(C)C.
What is the InChIKey of ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate?
The InChIKey is DQRYGFRIOVHDBM-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-6-17-15(16)14(18(3,4)5)12(2)13-10-8-7-9-11-13/h12-14H,6-11H2,1-5H3/t12-,14-/m0/s1.
What are the key properties of ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate?
ethyl (2S,3S)-3-cyclohexyl-2-trimethylsilylbutanoate has a molecular weight of 270.49 g/mol, XLogP of 4.47, 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-cyclohexyl-2-trimethylsilylbutanoate is sourced from PubChem (CID 138984104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).