[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate

C22H20O6 — CID 10738540

IUPAC[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate
SMILESO=C1CC2(OCCO2)[C@@H](OC(=O)c2ccccc2)C=C1OCc1ccccc1
InChIInChI=1S/C22H20O6/c23-18-14-22(26-11-12-27-22)20(28-21(24)17-9-5-2-6-10-17)13-19(18)25-15-16-7-3-1-4-8-16/h1-10,13,20H,11-12,14-15H2/t20-/m0/s1
InChIKeyFIKQSDVFUDTTMK-FQEVSTJZSA-N
MW380.40 g/mol
LogP3.03
Rot. Bonds5

About [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate

[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate (PubChem CID 10738540) has the molecular formula C22H20O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate.

Molecular Properties

Compound Name[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate
PubChem CID10738540
Molecular FormulaC22H20O6
Molecular Weight380.40 g/mol
Exact Mass380.13
IUPAC Name[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate
SMILESO=C1CC2(OCCO2)[C@@H](OC(=O)c2ccccc2)C=C1OCc1ccccc1
InChIInChI=1S/C22H20O6/c23-18-14-22(26-11-12-27-22)20(28-21(24)17-9-5-2-6-10-17)13-19(18)25-15-16-7-3-1-4-8-16/h1-10,13,20H,11-12,14-15H2/t20-/m0/s1
InChIKeyFIKQSDVFUDTTMK-FQEVSTJZSA-N
XLogP3.03
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate with MolForge

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Related Compounds

[3-hydroxy-2-(hydroxymethyl)oxan-4-yl] 4-phenylmethoxybenzoate
CID 142600755
[(2S,3R,5S,6R)-2,4,6-trihydroxy-3,5-bis(phenylmethoxy)cyclohexyl] benzoate
CID 71612996
[4,6-dibenzoyloxy-2-(hydroxymethyl)-5-phenylmethoxyoxan-3-yl] benzoate
CID 5063703
[3-[[4-(1,3-dioxolan-2-yl)phenyl]methoxy]phenyl]-phenylmethanone
CID 71113242
[(2R)-2-methylmorpholin-2-yl] 4-benzylbenzoate
CID 174297863
[(2S,3S,5S,6R)-3,4,5-trihydroxy-2,6-bis(phenylmethoxy)cyclohexyl] benzoate
CID 10863559
[3-(4-phenylmethoxybenzoyl)oxy-1,2,3,4-tetrahydronaphthalen-2-yl] 4-phenylmethoxybenzoate
CID 76756661
benzyl 6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90177792
benzyl benzoate
CID 2345
CID 18970879
CID 18970879
[(1S,5R,6R,7S,8R,9S)-8-acetyloxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] benzoate
CID 100926196
[(1S,2S,3R,4R,6S)-3-benzoyloxy-2,5-dihydroxy-4,6-bis(phenylmethoxy)cyclohexyl] 4-phenylbenzoate
CID 177482281

Frequently Asked Questions

What is the IUPAC name of [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate?
The IUPAC name of [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate (CID 10738540) is [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate.
What is the SMILES notation for [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate?
The canonical SMILES for [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate is O=C1CC2(OCCO2)[C@@H](OC(=O)c2ccccc2)C=C1OCc1ccccc1.
What is the InChIKey of [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate?
The InChIKey is FIKQSDVFUDTTMK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20O6/c23-18-14-22(26-11-12-27-22)20(28-21(24)17-9-5-2-6-10-17)13-19(18)25-15-16-7-3-1-4-8-16/h1-10,13,20H,11-12,14-15H2/t20-/m0/s1.
What are the key properties of [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate?
[(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate has a molecular weight of 380.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-9-oxo-8-phenylmethoxy-1,4-dioxaspiro[4.5]dec-7-en-6-yl] benzoate is sourced from PubChem (CID 10738540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).