1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone

C22H28O2Si — CID 10594184

IUPAC1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-17(23)21-15-18(21)16-24-25(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-16H2,1-4H3/t18-,21+/m0/s1
InChIKeyFKLVHHHGLWYPSE-GHTZIAJQSA-N
MW352.55 g/mol
LogP3.79
Rot. Bonds6

About 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone

1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone (PubChem CID 10594184) has the molecular formula C22H28O2Si and a molecular weight of 352.55 g/mol. Its IUPAC name is 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone
PubChem CID10594184
Molecular FormulaC22H28O2Si
Molecular Weight352.55 g/mol
Exact Mass352.19
IUPAC Name1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone
SMILESCC(=O)[C@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O2Si/c1-17(23)21-15-18(21)16-24-25(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-16H2,1-4H3/t18-,21+/m0/s1
InChIKeyFKLVHHHGLWYPSE-GHTZIAJQSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.55
LogP ≤ 53.79
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

1-{2-[(Tert-butyldiphenylsilyl)oxy]ethyl}cyclopropane-1-carbaldehyde
CID 58584506
(1R,2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropane-1-carbaldehyde
CID 10958705
(3S)-3-Methyl-4-(tert-buty)diphenylsilyloxy)butanal
CID 10969882
(1S,2R)-2-(((tert-Butyldiphenylsilyl)oxy)methyl)cyclopropane-1-carbaldehyde
CID 11121318
6-[Tert-butyl(diphenyl)silyl]oxyhexan-2-one
CID 15889737
4-[[Tert-butyl(diphenyl)silyl]oxymethyl]-5-fluoro-5-methylhexan-2-one
CID 164684296
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methylbutanal
CID 11013256
3-[(E)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-1-enyl]cyclohexan-1-one
CID 101625791
(4R)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal
CID 102488129
5-[Tert-butyl(diphenyl)silyl]oxypentanal
CID 10449949
(3R)-3-Methyl-4-(tert-buty)diphenylsilyloxy)butanal
CID 11336759
(4S)-6-[tert-butyl(diphenyl)silyl]oxy-4-methylhexanal
CID 11773055

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone?
The IUPAC name of 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone (CID 10594184) is 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone?
The canonical SMILES for 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone is CC(=O)[C@H]1C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone?
The InChIKey is FKLVHHHGLWYPSE-GHTZIAJQSA-N. The full InChI is InChI=1S/C22H28O2Si/c1-17(23)21-15-18(21)16-24-25(22(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,18,21H,15-16H2,1-4H3/t18-,21+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone?
1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone has a molecular weight of 352.55 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]ethanone is sourced from PubChem (CID 10594184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).