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

C13H20O2 — CID 45116905

IUPAC2-ethoxyspiro[5.5]undec-2-en-4-one
SMILESCCOC1=CC(=O)CC2(CCCCC2)C1
InChIInChI=1S/C13H20O2/c1-2-15-12-8-11(14)9-13(10-12)6-4-3-5-7-13/h8H,2-7,9-10H2,1H3
InChIKeyQNRULMIYZVCAIF-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds2

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

2-ethoxyspiro[5.5]undec-2-en-4-one (PubChem CID 45116905) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-ethoxyspiro[5.5]undec-2-en-4-one.

Molecular Properties

Compound Name2-ethoxyspiro[5.5]undec-2-en-4-one
PubChem CID45116905
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-ethoxyspiro[5.5]undec-2-en-4-one
SMILESCCOC1=CC(=O)CC2(CCCCC2)C1
InChIInChI=1S/C13H20O2/c1-2-15-12-8-11(14)9-13(10-12)6-4-3-5-7-13/h8H,2-7,9-10H2,1H3
InChIKeyQNRULMIYZVCAIF-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Mls003171023
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(4aS,5S)-5-ethoxy-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
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2,2-Dimethyl-3-oxaspiro[5.5]undec-7-EN-9-one
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CID 6543862
Ethyl 7-oxo-1,2,3,4,5,6-hexahydronaphthalene-4a-carboxylate
CID 345332
2-Cyclohexen-1-one, 5,5-dimethyl-3-(2-methylpropoxy)-
CID 558764
2-Acetyl-5,5-dimethyl-3-methoxy-2-cyclohexene-1-one
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6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
3-Butoxy-5,5-dimethylcyclohex-2-en-1-one
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5,5-Dimethyl-3-propoxycyclohex-2-en-1-one
CID 57184791

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyspiro[5.5]undec-2-en-4-one?
The IUPAC name of 2-ethoxyspiro[5.5]undec-2-en-4-one (CID 45116905) is 2-ethoxyspiro[5.5]undec-2-en-4-one.
What is the SMILES notation for 2-ethoxyspiro[5.5]undec-2-en-4-one?
The canonical SMILES for 2-ethoxyspiro[5.5]undec-2-en-4-one is CCOC1=CC(=O)CC2(CCCCC2)C1.
What is the InChIKey of 2-ethoxyspiro[5.5]undec-2-en-4-one?
The InChIKey is QNRULMIYZVCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-15-12-8-11(14)9-13(10-12)6-4-3-5-7-13/h8H,2-7,9-10H2,1H3.
What are the key properties of 2-ethoxyspiro[5.5]undec-2-en-4-one?
2-ethoxyspiro[5.5]undec-2-en-4-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyspiro[5.5]undec-2-en-4-one is sourced from PubChem (CID 45116905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).