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

C16H28O3Si — CID 141324637

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1C(=O)OC2(CCCCC2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-12-13(19-20(5,6)15(2,3)4)16(18-14(12)17)10-8-7-9-11-16/h13H,1,7-11H2,2-6H3
InChIKeyWOBCSNXELLESBB-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.19
Rot. Bonds2

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one

4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one (PubChem CID 141324637) has the molecular formula C16H28O3Si and a molecular weight of 296.48 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
PubChem CID141324637
Molecular FormulaC16H28O3Si
Molecular Weight296.48 g/mol
Exact Mass296.18
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
SMILESC=C1C(=O)OC2(CCCCC2)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H28O3Si/c1-12-13(19-20(5,6)15(2,3)4)16(18-14(12)17)10-8-7-9-11-16/h13H,1,7-11H2,2-6H3
InChIKeyWOBCSNXELLESBB-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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Related Compounds

[(4R)-3-methylidene-2-oxo-1-oxaspiro[4.5]decan-4-yl] acetate
CID 44382519
(3E)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one
CID 10082939
(3Z)-3-(trimethylsilylmethylidene)-1-oxaspiro[4.5]decan-2-one
CID 10444240
6-[Tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 89484596
8-[Tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one
CID 89484598
CID 144355703
CID 144355703
(3-Methylidene-2-oxo-1-oxaspiro[4.5]decan-4-yl) acetate
CID 23253912
methyl 2-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-3-deuterioprop-2-enoate
CID 101476822
(3Z,4Z)-5-cyclohexyl-3,4-bis(trimethylsilylmethylidene)oxolan-2-one
CID 102376048

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one (CID 141324637) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one is C=C1C(=O)OC2(CCCCC2)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
The InChIKey is WOBCSNXELLESBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3Si/c1-12-13(19-20(5,6)15(2,3)4)16(18-14(12)17)10-8-7-9-11-16/h13H,1,7-11H2,2-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one?
4-[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 4-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 141324637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).