(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one

C15H28O3Si — CID 11208376

IUPAC(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
SMILESCC(C)(C)O[C@H]1C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)17-12-10-9-11(16)13(12)18-19(7,8)15(4,5)6/h9-10,12-13H,1-8H3/t12-,13-/m0/s1
InChIKeyWYKUCQWXOCZQRE-STQMWFEESA-N
MW284.47 g/mol
LogP3.70
Rot. Bonds3

About (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one

(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one (PubChem CID 11208376) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
PubChem CID11208376
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
SMILESCC(C)(C)O[C@H]1C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28O3Si/c1-14(2,3)17-12-10-9-11(16)13(12)18-19(7,8)15(4,5)6/h9-10,12-13H,1-8H3/t12-,13-/m0/s1
InChIKeyWYKUCQWXOCZQRE-STQMWFEESA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 11046690
(4-Oxocyclopent-2-en-1-yl) 2-trimethylsilyloxyprop-2-enoate
CID 139257712
(6S)-6-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]pyran-2,5-dione
CID 164667839
Fibpykpqjarqjl-uwvggrqhsa-
CID 14434984
4,5-Bis[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 10176914
4,5-Di(propan-2-yloxy)cyclopent-2-en-1-one
CID 17924339
5-[Tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 72751406
(2R,6R)-6-[[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxymethyl]-2-propyl-2H-pyran-5-one
CID 10852623
[(1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 10923623
(4S,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
CID 10947880
(4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclopent-2-en-1-one
CID 11024337
[(1S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxocyclopent-2-en-1-yl] acetate
CID 11119161

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one (CID 11208376) is (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one is CC(C)(C)O[C@H]1C=CC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one?
The InChIKey is WYKUCQWXOCZQRE-STQMWFEESA-N. The full InChI is InChI=1S/C15H28O3Si/c1-14(2,3)17-12-10-9-11(16)13(12)18-19(7,8)15(4,5)6/h9-10,12-13H,1-8H3/t12-,13-/m0/s1.
What are the key properties of (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one?
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one has a molecular weight of 284.47 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one is sourced from PubChem (CID 11208376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).