trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one

C15H28O2Si — CID 134892821

IUPACtrans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@]1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-11-15(5)12(16)9-10-13(15)17-18(6,7)14(2,3)4/h8,13H,1,9-11H2,2-7H3/t13-,15-/m0/s1
InChIKeyQJDJXZWPUDXBHW-ZFWWWQNUSA-N
MW268.47 g/mol
LogP4.32
Rot. Bonds4

About trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one

trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one (PubChem CID 134892821) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
PubChem CID134892821
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametrans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@@]1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O2Si/c1-8-11-15(5)12(16)9-10-13(15)17-18(6,7)14(2,3)4/h8,13H,1,9-11H2,2-7H3/t13-,15-/m0/s1
InChIKeyQJDJXZWPUDXBHW-ZFWWWQNUSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclopentan-1-one
CID 11808159
cis-(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclopentan-1-one
CID 141723941
3-[Tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclopentan-1-one
CID 153715213
trans-(3R,4S)-3-[(Z)-oct-2-enyl]-4-triethylsilyloxycyclopentan-1-one
CID 173615268
(4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-ethenylcyclopentan-1-one
CID 173726093
trans-(1S,2S)-1-but-3-enyl-2-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carbaldehyde
CID 10660587
cis-(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enylcyclopentan-1-one
CID 10890471
(1R,5R)-1-[tert-butyl(dimethyl)silyl]oxy-7,9,9-trimethylspiro[4.5]dec-7-en-4-one
CID 10958256
trans-(2S,3R)-2-but-3-enyl-3-hydroxy-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 11845013
trans-(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53381778
trans-(2S,3R)-3-hydroxy-2-pent-4-enyl-2-(2-trimethylsilylethynyl)cyclopentan-1-one
CID 53382000
2-[4-[Tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
CID 101059159

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one (CID 134892821) is trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one is C=CC[C@@]1(C)C(=O)CC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one?
The InChIKey is QJDJXZWPUDXBHW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-8-11-15(5)12(16)9-10-13(15)17-18(6,7)14(2,3)4/h8,13H,1,9-11H2,2-7H3/t13-,15-/m0/s1.
What are the key properties of trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one?
trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one has a molecular weight of 268.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 134892821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).