8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one

C8H12O4 — CID 91351339

IUPAC8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1O)OCCO2
InChIInChI=1S/C8H12O4/c9-6-1-2-8(5-7(6)10)11-3-4-12-8/h6,9H,1-5H2
InChIKeyNJOFWTFQOPHSSM-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.16
Rot. Bonds

About 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one

8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 91351339) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID91351339
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one
SMILESO=C1CC2(CCC1O)OCCO2
InChIInChI=1S/C8H12O4/c9-6-1-2-8(5-7(6)10)11-3-4-12-8/h6,9H,1-5H2
InChIKeyNJOFWTFQOPHSSM-UHFFFAOYSA-N
XLogP-0.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one (CID 91351339) is 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one is O=C1CC2(CCC1O)OCCO2.
What is the InChIKey of 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is NJOFWTFQOPHSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c9-6-1-2-8(5-7(6)10)11-3-4-12-8/h6,9H,1-5H2.
What are the key properties of 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one?
8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 172.18 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 91351339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).