trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one

C13H26OSi — CID 101216177

IUPACtrans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one
SMILESCC[C@@H]1C[C@H](CCC[Si](C)(C)C)CC1=O
InChIInChI=1S/C13H26OSi/c1-5-12-9-11(10-13(12)14)7-6-8-15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyOBKVAKLDLREXOJ-NWDGAFQWSA-N
MW226.44 g/mol
LogP4.11
Rot. Bonds5

About trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one

trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one (PubChem CID 101216177) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one
PubChem CID101216177
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametrans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one
SMILESCC[C@@H]1C[C@H](CCC[Si](C)(C)C)CC1=O
InChIInChI=1S/C13H26OSi/c1-5-12-9-11(10-13(12)14)7-6-8-15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyOBKVAKLDLREXOJ-NWDGAFQWSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one?
The IUPAC name of trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one (CID 101216177) is trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one.
What is the SMILES notation for trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one?
The canonical SMILES for trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one is CC[C@@H]1C[C@H](CCC[Si](C)(C)C)CC1=O.
What is the InChIKey of trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one?
The InChIKey is OBKVAKLDLREXOJ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26OSi/c1-5-12-9-11(10-13(12)14)7-6-8-15(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one?
trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one has a molecular weight of 226.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4S)-2-ethyl-4-(3-trimethylsilylpropyl)cyclopentan-1-one is sourced from PubChem (CID 101216177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).