6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one

C17H30O2Si — CID 58233725

IUPAC6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one
SMILESCC1CC(=O)C2(CC=CC2)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H30O2Si/c1-13-11-14(18)17(9-7-8-10-17)15(12-13)19-20(5,6)16(2,3)4/h7-8,13,15H,9-12H2,1-6H3
InChIKeyLDQUOUGLFLMECH-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.71
Rot. Bonds2

About 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one

6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one (PubChem CID 58233725) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one
PubChem CID58233725
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one
SMILESCC1CC(=O)C2(CC=CC2)C(O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C17H30O2Si/c1-13-11-14(18)17(9-7-8-10-17)15(12-13)19-20(5,6)16(2,3)4/h7-8,13,15H,9-12H2,1-6H3
InChIKeyLDQUOUGLFLMECH-UHFFFAOYSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one (CID 58233725) is 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one is CC1CC(=O)C2(CC=CC2)C(O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one?
The InChIKey is LDQUOUGLFLMECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-13-11-14(18)17(9-7-8-10-17)15(12-13)19-20(5,6)16(2,3)4/h7-8,13,15H,9-12H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one?
6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one has a molecular weight of 294.51 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]oxy-8-methylspiro[4.5]dec-2-en-10-one is sourced from PubChem (CID 58233725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).