(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione

C15H23BrO4Si — CID 101270674

IUPAC(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione
SMILESCC[Si](CC)(CC)O[C@@H]1C(Br)C=CC(=O)[C@]12CCC(=O)O2
InChIInChI=1S/C15H23BrO4Si/c1-4-21(5-2,6-3)20-14-11(16)7-8-12(17)15(14)10-9-13(18)19-15/h7-8,11,14H,4-6,9-10H2,1-3H3/t11?,14-,15-/m1/s1
InChIKeyHWYQMDZYIMUTHI-PJYWTSEFSA-N
MW375.34 g/mol
LogP3.36
Rot. Bonds5

About (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione

(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione (PubChem CID 101270674) has the molecular formula C15H23BrO4Si and a molecular weight of 375.34 g/mol. Its IUPAC name is (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione.

Molecular Properties

Compound Name(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione
PubChem CID101270674
Molecular FormulaC15H23BrO4Si
Molecular Weight375.34 g/mol
Exact Mass374.05
IUPAC Name(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione
SMILESCC[Si](CC)(CC)O[C@@H]1C(Br)C=CC(=O)[C@]12CCC(=O)O2
InChIInChI=1S/C15H23BrO4Si/c1-4-21(5-2,6-3)20-14-11(16)7-8-12(17)15(14)10-9-13(18)19-15/h7-8,11,14H,4-6,9-10H2,1-3H3/t11?,14-,15-/m1/s1
InChIKeyHWYQMDZYIMUTHI-PJYWTSEFSA-N
XLogP3.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R,9S)-4,9-bis(triethylsilyloxy)-1-oxaspiro[4.4]nonan-2-one
CID 71362585
(3aR,4R,5R)-5-hydroxy-5,7-dimethyl-4-triethylsilyloxyspiro[3a,4-dihydroindene-6,1'-cyclobutane]-1-one
CID 11405341
(1R,4R)-5-triethylsilyloxybicyclo[2.1.1]hexane-1-carbaldehyde
CID 101124708
(6R)-6-[(1S)-1,2-bis(triethylsilyloxy)ethyl]-6-butyloxan-2-one
CID 134975017
(1S,5R,6R)-5-triethylsilyloxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 11470498
[(4R,5R)-4,7-dimethylspiro[4,5-dihydroindene-6,1'-cyclopropane]-5-yl]oxy-triethylsilane
CID 71047224
(5R,6R,9S,10R)-6-methyl-9-propan-2-yl-10-triethylsilyloxyspiro[4.5]decan-4-one
CID 135019404
6-butyl-1-methyl-2-oxabicyclo[4.1.0]heptan-3-one
CID 15455654
2-ethoxy-5-oxooxolane-2-carboxamide
CID 91082721
methyl (1S,4S,7R)-6-iodo-5',8-dioxospiro[bicyclo[2.2.2]octa-2,5-diene-7,2'-oxolane]-2-carboxylate
CID 101187393
dimethyl (1R,4S,8R)-5-acetyl-5',7-dioxospiro[bicyclo[2.2.2]octa-2,5-diene-8,2'-oxolane]-2,3-dicarboxylate
CID 101187397
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717

Frequently Asked Questions

What is the IUPAC name of (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione?
The IUPAC name of (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione (CID 101270674) is (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione.
What is the SMILES notation for (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione?
The canonical SMILES for (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione is CC[Si](CC)(CC)O[C@@H]1C(Br)C=CC(=O)[C@]12CCC(=O)O2.
What is the InChIKey of (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione?
The InChIKey is HWYQMDZYIMUTHI-PJYWTSEFSA-N. The full InChI is InChI=1S/C15H23BrO4Si/c1-4-21(5-2,6-3)20-14-11(16)7-8-12(17)15(14)10-9-13(18)19-15/h7-8,11,14H,4-6,9-10H2,1-3H3/t11?,14-,15-/m1/s1.
What are the key properties of (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione?
(5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione has a molecular weight of 375.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10S)-9-bromo-10-triethylsilyloxy-1-oxaspiro[4.5]dec-7-ene-2,6-dione is sourced from PubChem (CID 101270674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).