4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one

C18H32O2Si — CID 90037209

IUPAC4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1CCCC12CCC(=O)CC2
InChIInChI=1S/C18H32O2Si/c1-14(20-21(5,6)17(2,3)4)16-8-7-11-18(16)12-9-15(19)10-13-18/h16H,1,7-13H2,2-6H3
InChIKeyIECDMKPDODJLJG-UHFFFAOYSA-N
MW308.54 g/mol
LogP5.45
Rot. Bonds3

About 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one

4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one (PubChem CID 90037209) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one.

Molecular Properties

Compound Name4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one
PubChem CID90037209
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one
SMILESC=C(O[Si](C)(C)C(C)(C)C)C1CCCC12CCC(=O)CC2
InChIInChI=1S/C18H32O2Si/c1-14(20-21(5,6)17(2,3)4)16-8-7-11-18(16)12-9-15(19)10-13-18/h16H,1,7-13H2,2-6H3
InChIKeyIECDMKPDODJLJG-UHFFFAOYSA-N
XLogP5.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one?
The IUPAC name of 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one (CID 90037209) is 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one.
What is the SMILES notation for 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one?
The canonical SMILES for 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one is C=C(O[Si](C)(C)C(C)(C)C)C1CCCC12CCC(=O)CC2.
What is the InChIKey of 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one?
The InChIKey is IECDMKPDODJLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-14(20-21(5,6)17(2,3)4)16-8-7-11-18(16)12-9-15(19)10-13-18/h16H,1,7-13H2,2-6H3.
What are the key properties of 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one?
4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one has a molecular weight of 308.54 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]spiro[4.5]decan-8-one is sourced from PubChem (CID 90037209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).