4-methoxyspiro[5.5]undec-4-en-2-one

C12H18O2 — CID 130848309

IUPAC4-methoxyspiro[5.5]undec-4-en-2-one
SMILESCOC1=CC2(CCCCC2)CC(=O)C1
InChIInChI=1S/C12H18O2/c1-14-11-7-10(13)8-12(9-11)5-3-2-4-6-12/h9H,2-8H2,1H3
InChIKeyGVLOPZIRUXJUBF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds1

About 4-methoxyspiro[5.5]undec-4-en-2-one

4-methoxyspiro[5.5]undec-4-en-2-one (PubChem CID 130848309) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-methoxyspiro[5.5]undec-4-en-2-one.

Molecular Properties

Compound Name4-methoxyspiro[5.5]undec-4-en-2-one
PubChem CID130848309
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-methoxyspiro[5.5]undec-4-en-2-one
SMILESCOC1=CC2(CCCCC2)CC(=O)C1
InChIInChI=1S/C12H18O2/c1-14-11-7-10(13)8-12(9-11)5-3-2-4-6-12/h9H,2-8H2,1H3
InChIKeyGVLOPZIRUXJUBF-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxyspiro[5.5]undec-4-en-2-one?
The IUPAC name of 4-methoxyspiro[5.5]undec-4-en-2-one (CID 130848309) is 4-methoxyspiro[5.5]undec-4-en-2-one.
What is the SMILES notation for 4-methoxyspiro[5.5]undec-4-en-2-one?
The canonical SMILES for 4-methoxyspiro[5.5]undec-4-en-2-one is COC1=CC2(CCCCC2)CC(=O)C1.
What is the InChIKey of 4-methoxyspiro[5.5]undec-4-en-2-one?
The InChIKey is GVLOPZIRUXJUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-11-7-10(13)8-12(9-11)5-3-2-4-6-12/h9H,2-8H2,1H3.
What are the key properties of 4-methoxyspiro[5.5]undec-4-en-2-one?
4-methoxyspiro[5.5]undec-4-en-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyspiro[5.5]undec-4-en-2-one is sourced from PubChem (CID 130848309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).