(5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one

C17H30O2Si — CID 11000904

IUPAC(5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CC[C@@]2(C=CC(=O)C2)C1
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(4,5)19-11-8-14-6-9-17(12-14)10-7-15(18)13-17/h7,10,14H,6,8-9,11-13H2,1-5H3/t14-,17+/m0/s1
InChIKeyVQAVKWJZPQJCRQ-WMLDXEAASA-N
MW294.51 g/mol
LogP4.71
Rot. Bonds4

About (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one

(5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one (PubChem CID 11000904) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name(5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one
PubChem CID11000904
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H]1CC[C@@]2(C=CC(=O)C2)C1
InChIInChI=1S/C17H30O2Si/c1-16(2,3)20(4,5)19-11-8-14-6-9-17(12-14)10-7-15(18)13-17/h7,10,14H,6,8-9,11-13H2,1-5H3/t14-,17+/m0/s1
InChIKeyVQAVKWJZPQJCRQ-WMLDXEAASA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

1-[(1R,2S,3S,4S)-3-[2-tri(propan-2-yl)silyloxyethyl]-2-bicyclo[2.2.1]hept-5-enyl]prop-2-en-1-one
CID 11703011
2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-3-methylidenespiro[4.5]dec-9-en-8-one
CID 12002652
1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-methylbicyclo[2.2.1]hept-2-en-7-one
CID 75628889
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one
CID 101385413
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxyspiro[4.4]non-3-en-2-one
CID 101385414
(3aR,7aR)-7a-(3-((tert-butyldimethylsilyl)oxy)propyl)-3,3-dimethyl-3,3a,4,7a-tetrahydro-5H-inden-5-one
CID 162786861
5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-propyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 100993869
(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-triethylsilyloxyheptan-2-yl]-2,3,3a,7-tetrahydro-1H-inden-4-one
CID 101049159
(5R,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 161770862
(1R,5S,11Z)-6-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-1,2,5-trimethyltricyclo[11.4.0.05,9]heptadeca-11,13-dien-15-one
CID 173958182
5-[5-[Tert-butyl(dimethyl)silyl]oxypentyl]-5-methylcyclopent-2-en-1-one
CID 10494187
(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methyl-6-trimethylsilyloxyheptan-2-yl]-2,3,3a,7-tetrahydro-1H-inden-4-one
CID 10521850

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one?
The IUPAC name of (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one (CID 11000904) is (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one.
What is the SMILES notation for (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one?
The canonical SMILES for (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one is CC(C)(C)[Si](C)(C)OCC[C@@H]1CC[C@@]2(C=CC(=O)C2)C1.
What is the InChIKey of (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one?
The InChIKey is VQAVKWJZPQJCRQ-WMLDXEAASA-N. The full InChI is InChI=1S/C17H30O2Si/c1-16(2,3)20(4,5)19-11-8-14-6-9-17(12-14)10-7-15(18)13-17/h7,10,14H,6,8-9,11-13H2,1-5H3/t14-,17+/m0/s1.
What are the key properties of (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one?
(5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one has a molecular weight of 294.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]spiro[4.4]non-3-en-2-one is sourced from PubChem (CID 11000904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).