1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one

C12H24O2Si — CID 123838797

IUPAC1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
SMILESCC(=O)CC1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H24O2Si/c1-10(13)9-12(7-8-12)14-15(5,6)11(2,3)4/h7-9H2,1-6H3
InChIKeyIIFNFPCQWLYDRG-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.52
Rot. Bonds4

About 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one

1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one (PubChem CID 123838797) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one.

Molecular Properties

Compound Name1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
PubChem CID123838797
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one
SMILESCC(=O)CC1(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C12H24O2Si/c1-10(13)9-12(7-8-12)14-15(5,6)11(2,3)4/h7-9H2,1-6H3
InChIKeyIIFNFPCQWLYDRG-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.52
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 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one?
The IUPAC name of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one (CID 123838797) is 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one.
What is the SMILES notation for 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one?
The canonical SMILES for 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one is CC(=O)CC1(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one?
The InChIKey is IIFNFPCQWLYDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-10(13)9-12(7-8-12)14-15(5,6)11(2,3)4/h7-9H2,1-6H3.
What are the key properties of 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one?
1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one has a molecular weight of 228.41 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]propan-2-one is sourced from PubChem (CID 123838797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).