6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one

C9H12O4 — CID 11735555

IUPAC6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
SMILESCC1(C)OCC2(O1)C(=O)C=CC2O
InChIInChI=1S/C9H12O4/c1-8(2)12-5-9(13-8)6(10)3-4-7(9)11/h3-4,6,10H,5H2,1-2H3
InChIKeyCDIRCUFRKQSQKJ-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.01
Rot. Bonds

About 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one

6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one (PubChem CID 11735555) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one.

Molecular Properties

Compound Name6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
PubChem CID11735555
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one
SMILESCC1(C)OCC2(O1)C(=O)C=CC2O
InChIInChI=1S/C9H12O4/c1-8(2)12-5-9(13-8)6(10)3-4-7(9)11/h3-4,6,10H,5H2,1-2H3
InChIKeyCDIRCUFRKQSQKJ-UHFFFAOYSA-N
XLogP0.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
The IUPAC name of 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one (CID 11735555) is 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one.
What is the SMILES notation for 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
The canonical SMILES for 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one is CC1(C)OCC2(O1)C(=O)C=CC2O.
What is the InChIKey of 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
The InChIKey is CDIRCUFRKQSQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-8(2)12-5-9(13-8)6(10)3-4-7(9)11/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one?
6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one has a molecular weight of 184.19 g/mol, XLogP of 0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,2-dimethyl-1,3-dioxaspiro[4.4]non-7-en-9-one is sourced from PubChem (CID 11735555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).