9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one

C17H32O2Si — CID 19390045

IUPAC9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC2(CCC(=O)CC2)CC1
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(4,5)19-15-8-12-17(13-9-15)10-6-14(18)7-11-17/h15H,6-13H2,1-5H3
InChIKeyDFCHDUKZPZQQQL-UHFFFAOYSA-N
MW296.53 g/mol
LogP5.08
Rot. Bonds2

About 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one

9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one (PubChem CID 19390045) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one
PubChem CID19390045
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one
SMILESCC(C)(C)[Si](C)(C)OC1CCC2(CCC(=O)CC2)CC1
InChIInChI=1S/C17H32O2Si/c1-16(2,3)20(4,5)19-15-8-12-17(13-9-15)10-6-14(18)7-11-17/h15H,6-13H2,1-5H3
InChIKeyDFCHDUKZPZQQQL-UHFFFAOYSA-N
XLogP5.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.53
LogP ≤ 55.08
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 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one?
The IUPAC name of 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one (CID 19390045) is 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one is CC(C)(C)[Si](C)(C)OC1CCC2(CCC(=O)CC2)CC1.
What is the InChIKey of 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one?
The InChIKey is DFCHDUKZPZQQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-16(2,3)20(4,5)19-15-8-12-17(13-9-15)10-6-14(18)7-11-17/h15H,6-13H2,1-5H3.
What are the key properties of 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one?
9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one has a molecular weight of 296.53 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undecan-3-one is sourced from PubChem (CID 19390045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).