(5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one

C7H8O4 — CID 102347591

IUPAC(5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C[C@]2(CCOCO2)O1
InChIInChI=1S/C7H8O4/c8-6-1-2-7(11-6)3-4-9-5-10-7/h1-2H,3-5H2/t7-/m1/s1
InChIKeyBOGBSHMYJMZOFS-SSDOTTSWSA-N
MW156.14 g/mol
LogP0.19
Rot. Bonds

About (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one

(5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one (PubChem CID 102347591) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name(5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one
PubChem CID102347591
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one
SMILESO=C1C=C[C@]2(CCOCO2)O1
InChIInChI=1S/C7H8O4/c8-6-1-2-7(11-6)3-4-9-5-10-7/h1-2H,3-5H2/t7-/m1/s1
InChIKeyBOGBSHMYJMZOFS-SSDOTTSWSA-N
XLogP0.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
The IUPAC name of (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one (CID 102347591) is (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one is O=C1C=C[C@]2(CCOCO2)O1.
What is the InChIKey of (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
The InChIKey is BOGBSHMYJMZOFS-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8O4/c8-6-1-2-7(11-6)3-4-9-5-10-7/h1-2H,3-5H2/t7-/m1/s1.
What are the key properties of (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one?
(5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one has a molecular weight of 156.14 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,8,10-trioxaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 102347591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).