7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one

C9H12O3 — CID 53391906

IUPAC7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
SMILESO=C1C=CC(O)OC12CCCC2
InChIInChI=1S/C9H12O3/c10-7-3-4-8(11)12-9(7)5-1-2-6-9/h3-4,8,11H,1-2,5-6H2
InChIKeyHNXVUDRBLSADEU-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.77
Rot. Bonds

About 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one

7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one (PubChem CID 53391906) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one.

Molecular Properties

Compound Name7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
PubChem CID53391906
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one
SMILESO=C1C=CC(O)OC12CCCC2
InChIInChI=1S/C9H12O3/c10-7-3-4-8(11)12-9(7)5-1-2-6-9/h3-4,8,11H,1-2,5-6H2
InChIKeyHNXVUDRBLSADEU-UHFFFAOYSA-N
XLogP0.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
6-butyl-2-hydroxy-2H-pyran-5-one
CID 14641211
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
2-hydroxy-6-(2-methylpropyl)-2H-pyran-5-one
CID 130036311
7-Hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 135075468
(7S)-7-hydroxy-7-methyl-6-oxaspiro[4.5]dec-8-en-10-one
CID 162412613
2-hydroxy-6,6-dipropyl-2H-pyran-5-one
CID 164676540
6,6-diethyl-2-hydroxy-2H-pyran-5-one
CID 166445973
6,6-dicyclopropyl-2-hydroxy-2H-pyran-5-one
CID 166446352
2-hydroxy-6-methyl-6-prop-2-enyl-2H-pyran-5-one
CID 176429015
6-cyclohexyl-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 176429017
6-cyclopentyl-2-hydroxy-2H-pyran-5-one
CID 163210252

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one?
The IUPAC name of 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one (CID 53391906) is 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one.
What is the SMILES notation for 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one?
The canonical SMILES for 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one is O=C1C=CC(O)OC12CCCC2.
What is the InChIKey of 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one?
The InChIKey is HNXVUDRBLSADEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-7-3-4-8(11)12-9(7)5-1-2-6-9/h3-4,8,11H,1-2,5-6H2.
What are the key properties of 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one?
7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one has a molecular weight of 168.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-oxaspiro[4.5]dec-8-en-10-one is sourced from PubChem (CID 53391906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).