8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one

C16H28O3Si — CID 89484598

IUPAC8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1=O
InChIInChI=1S/C16H28O3Si/c1-12-11-16(18-14(12)17)9-7-13(8-10-16)19-20(5,6)15(2,3)4/h13H,1,7-11H2,2-6H3
InChIKeyCEDVRFPAVXUSBL-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.19
Rot. Bonds2

About 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one

8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one (PubChem CID 89484598) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
PubChem CID89484598
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1=O
InChIInChI=1S/C16H28O3Si/c1-12-11-16(18-14(12)17)9-7-13(8-10-16)19-20(5,6)15(2,3)4/h13H,1,7-11H2,2-6H3
InChIKeyCEDVRFPAVXUSBL-UHFFFAOYSA-N
XLogP4.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one (CID 89484598) is 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one is C=C1CC2(CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1=O.
What is the InChIKey of 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The InChIKey is CEDVRFPAVXUSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-12-11-16(18-14(12)17)9-7-13(8-10-16)19-20(5,6)15(2,3)4/h13H,1,7-11H2,2-6H3.
What are the key properties of 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one has a molecular weight of 296.48 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 89484598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).