(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one

C8H10O3 — CID 102061126

IUPAC(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=CO[C@@]2(CCCO2)C1
InChIInChI=1S/C8H10O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h2,5H,1,3-4,6H2/t8-/m0/s1
InChIKeySCUHTQNNLHUCEK-QMMMGPOBSA-N
MW154.17 g/mol
LogP1.00
Rot. Bonds

About (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one

(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one (PubChem CID 102061126) has the molecular formula C8H10O3 and a molecular weight of 154.17 g/mol. Its IUPAC name is (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one.

Molecular Properties

Compound Name(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one
PubChem CID102061126
Molecular FormulaC8H10O3
Molecular Weight154.17 g/mol
Exact Mass154.06
IUPAC Name(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one
SMILESO=C1C=CO[C@@]2(CCCO2)C1
InChIInChI=1S/C8H10O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h2,5H,1,3-4,6H2/t8-/m0/s1
InChIKeySCUHTQNNLHUCEK-QMMMGPOBSA-N
XLogP1.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one?
The IUPAC name of (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one (CID 102061126) is (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one.
What is the SMILES notation for (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one?
The canonical SMILES for (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one is O=C1C=CO[C@@]2(CCCO2)C1.
What is the InChIKey of (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one?
The InChIKey is SCUHTQNNLHUCEK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-2-5-11-8(6-7)3-1-4-10-8/h2,5H,1,3-4,6H2/t8-/m0/s1.
What are the key properties of (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one?
(5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one has a molecular weight of 154.17 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,6-dioxaspiro[4.5]dec-7-en-9-one is sourced from PubChem (CID 102061126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).