(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one

C8H10O3 — CID 102310938

IUPAC(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=C[C@]2(CCCO2)OC1
InChIInChI=1S/C8H10O3/c9-7-2-4-8(11-6-7)3-1-5-10-8/h2,4H,1,3,5-6H2/t8-/m0/s1
InChIKeyVQACIBMOUKADMQ-QMMMGPOBSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one

(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one (PubChem CID 102310938) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one.

Molecular Properties

Compound Name(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one
PubChem CID102310938
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one
SMILESO=C1C=C[C@]2(CCCO2)OC1
InChIInChI=1S/C8H10O3/c9-7-2-4-8(11-6-7)3-1-5-10-8/h2,4H,1,3,5-6H2/t8-/m0/s1
InChIKeyVQACIBMOUKADMQ-QMMMGPOBSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7a-Methoxy-2,3-dihydro-1-benzofuran-5-one
CID 130031998
(5S,7R)-7-propan-2-yl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 102310942
(5S,7R)-7-prop-2-enyl-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 71506916
(5S)-2,2-dimethyl-1,10-dioxaspiro[4.5]dec-6-en-8-one
CID 102310939
(5S)-1,6-dioxaspiro[4.5]dec-8-en-10-one
CID 102374820
(5R)-1,6-dioxaspiro[4.5]dec-9-en-8-one
CID 125480356

Frequently Asked Questions

What is the IUPAC name of (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The IUPAC name of (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one (CID 102310938) is (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one.
What is the SMILES notation for (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The canonical SMILES for (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one is O=C1C=C[C@]2(CCCO2)OC1.
What is the InChIKey of (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one?
The InChIKey is VQACIBMOUKADMQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10O3/c9-7-2-4-8(11-6-7)3-1-5-10-8/h2,4H,1,3,5-6H2/t8-/m0/s1.
What are the key properties of (5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one?
(5S)-1,6-dioxaspiro[4.5]dec-9-en-8-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 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-9-en-8-one is sourced from PubChem (CID 102310938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).