1,5-dioxaspiro[5.5]undec-2-en-4-one

C9H12O3 — CID 13319388

IUPAC1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESO=C1C=COC2(CCCCC2)O1
InChIInChI=1S/C9H12O3/c10-8-4-7-11-9(12-8)5-2-1-3-6-9/h4,7H,1-3,5-6H2
InChIKeyNOQYXTYMYYOSQL-UHFFFAOYSA-N
MW168.19 g/mol
LogP1.73
Rot. Bonds

About 1,5-dioxaspiro[5.5]undec-2-en-4-one

1,5-dioxaspiro[5.5]undec-2-en-4-one (PubChem CID 13319388) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1,5-dioxaspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name1,5-dioxaspiro[5.5]undec-2-en-4-one
PubChem CID13319388
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1,5-dioxaspiro[5.5]undec-2-en-4-one
SMILESO=C1C=COC2(CCCCC2)O1
InChIInChI=1S/C9H12O3/c10-8-4-7-11-9(12-8)5-2-1-3-6-9/h4,7H,1-3,5-6H2
InChIKeyNOQYXTYMYYOSQL-UHFFFAOYSA-N
XLogP1.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxaspiro[5.5]undec-2-en-4-one?
The IUPAC name of 1,5-dioxaspiro[5.5]undec-2-en-4-one (CID 13319388) is 1,5-dioxaspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 1,5-dioxaspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 1,5-dioxaspiro[5.5]undec-2-en-4-one is O=C1C=COC2(CCCCC2)O1.
What is the InChIKey of 1,5-dioxaspiro[5.5]undec-2-en-4-one?
The InChIKey is NOQYXTYMYYOSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-8-4-7-11-9(12-8)5-2-1-3-6-9/h4,7H,1-3,5-6H2.
What are the key properties of 1,5-dioxaspiro[5.5]undec-2-en-4-one?
1,5-dioxaspiro[5.5]undec-2-en-4-one has a molecular weight of 168.19 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxaspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 13319388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).