2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one

C9H12O4 — CID 14340201

IUPAC2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one
SMILESO=C1C=CC(O)OC12CCCCO2
InChIInChI=1S/C9H12O4/c10-7-3-4-8(11)13-9(7)5-1-2-6-12-9/h3-4,8,11H,1-2,5-6H2
InChIKeyCJCYIDBHGRHXMF-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.36
Rot. Bonds

About 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one

2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one (PubChem CID 14340201) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one.

Molecular Properties

Compound Name2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one
PubChem CID14340201
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one
SMILESO=C1C=CC(O)OC12CCCCO2
InChIInChI=1S/C9H12O4/c10-7-3-4-8(11)13-9(7)5-1-2-6-12-9/h3-4,8,11H,1-2,5-6H2
InChIKeyCJCYIDBHGRHXMF-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one?
The IUPAC name of 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one (CID 14340201) is 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one.
What is the SMILES notation for 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one?
The canonical SMILES for 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one is O=C1C=CC(O)OC12CCCCO2.
What is the InChIKey of 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one?
The InChIKey is CJCYIDBHGRHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c10-7-3-4-8(11)13-9(7)5-1-2-6-12-9/h3-4,8,11H,1-2,5-6H2.
What are the key properties of 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one?
2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one has a molecular weight of 184.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,7-dioxaspiro[5.5]undec-3-en-5-one is sourced from PubChem (CID 14340201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).