trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one

C15H30O2Si — CID 134872905

IUPACtrans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one
SMILESC[C@@H]1CCC(=O)[C@@H]1[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-11-8-9-13(16)14(11)12(2)10-17-18(6,7)15(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14+/m1/s1
InChIKeySOTKRJUBZJHESI-BZPMIXESSA-N
MW270.49 g/mol
LogP4.26
Rot. Bonds4

About trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one

trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one (PubChem CID 134872905) has the molecular formula C15H30O2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one
PubChem CID134872905
Molecular FormulaC15H30O2Si
Molecular Weight270.49 g/mol
Exact Mass270.20
IUPAC Nametrans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one
SMILESC[C@@H]1CCC(=O)[C@@H]1[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30O2Si/c1-11-8-9-13(16)14(11)12(2)10-17-18(6,7)15(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14+/m1/s1
InChIKeySOTKRJUBZJHESI-BZPMIXESSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 54.26
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 trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one?
The IUPAC name of trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one (CID 134872905) is trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one.
What is the SMILES notation for trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one?
The canonical SMILES for trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one is C[C@@H]1CCC(=O)[C@@H]1[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one?
The InChIKey is SOTKRJUBZJHESI-BZPMIXESSA-N. The full InChI is InChI=1S/C15H30O2Si/c1-11-8-9-13(16)14(11)12(2)10-17-18(6,7)15(3,4)5/h11-12,14H,8-10H2,1-7H3/t11-,12-,14+/m1/s1.
What are the key properties of trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one?
trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one has a molecular weight of 270.49 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3R)-2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-3-methylcyclopentan-1-one is sourced from PubChem (CID 134872905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).