1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone

C13H26O2Si — CID 11128488

IUPAC1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-9(14)11-8-12(11)10(2)15-16(6,7)13(3,4)5/h10-12H,8H2,1-7H3/t10-,11+,12+/m0/s1
InChIKeyVHQKXUHDYZTTLD-QJPTWQEYSA-N
MW242.43 g/mol
LogP3.62
Rot. Bonds4

About 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone

1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone (PubChem CID 11128488) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone
PubChem CID11128488
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-9(14)11-8-12(11)10(2)15-16(6,7)13(3,4)5/h10-12H,8H2,1-7H3/t10-,11+,12+/m0/s1
InChIKeyVHQKXUHDYZTTLD-QJPTWQEYSA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropyl-2-methylpentan-1-one
CID 154722427
(4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexan-2-one
CID 10377185
3,5-Dimethyl-6-triethylsilyloxyhexan-2-one
CID 72985644
(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-one
CID 10977698
(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylheptan-2-one
CID 15030369
(1S,5S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-one
CID 58906868
6-[[Tert-butyl(dimethyl)silyl]oxymethyl]bicyclo[3.1.0]hexan-2-one
CID 69065178
7-[Tert-butyl(dimethyl)silyl]oxy-5-methylheptan-2-one
CID 76416513
6-[Tert-butyl(dimethyl)silyl]oxyheptan-2-one
CID 85353265
1-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]ethanone
CID 174082315
(3S,5R)-3,5-dimethyl-6-triethylsilyloxyhexan-2-one
CID 11499870
cis-(1S,2S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclopropane-1-carbaldehyde
CID 15450049

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone (CID 11128488) is 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone is CC(=O)[C@H]1C[C@@H]1[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone?
The InChIKey is VHQKXUHDYZTTLD-QJPTWQEYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-9(14)11-8-12(11)10(2)15-16(6,7)13(3,4)5/h10-12H,8H2,1-7H3/t10-,11+,12+/m0/s1.
What are the key properties of 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone?
1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone has a molecular weight of 242.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopropyl]ethanone is sourced from PubChem (CID 11128488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).