1-ethoxyspiro[3.5]non-1-ene-3,7-dione

C11H14O3 — CID 141067825

IUPAC1-ethoxyspiro[3.5]non-1-ene-3,7-dione
SMILESCCOC1=CC(=O)C12CCC(=O)CC2
InChIInChI=1S/C11H14O3/c1-2-14-10-7-9(13)11(10)5-3-8(12)4-6-11/h7H,2-6H2,1H3
InChIKeyMXXDBAKYNMIBLO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.62
Rot. Bonds2

About 1-ethoxyspiro[3.5]non-1-ene-3,7-dione

1-ethoxyspiro[3.5]non-1-ene-3,7-dione (PubChem CID 141067825) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-ethoxyspiro[3.5]non-1-ene-3,7-dione.

Molecular Properties

Compound Name1-ethoxyspiro[3.5]non-1-ene-3,7-dione
PubChem CID141067825
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-ethoxyspiro[3.5]non-1-ene-3,7-dione
SMILESCCOC1=CC(=O)C12CCC(=O)CC2
InChIInChI=1S/C11H14O3/c1-2-14-10-7-9(13)11(10)5-3-8(12)4-6-11/h7H,2-6H2,1H3
InChIKeyMXXDBAKYNMIBLO-UHFFFAOYSA-N
XLogP1.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-7-methoxyspiro[3.5]non-2-en-1-one
CID 21919772
3-Ethoxyspiro[3.5]non-2-en-1-one
CID 24974468
Spiro[3.6]dec-2-en-1-one, 3-ethoxy-
CID 55297695
7-(1,1-Dimethylethyl)-3-ethoxy-spiro[3.5]non-2-EN-1-one
CID 73014221
3-(2-Methylpropoxy)-6-(3-oxobutyl)-6-prop-2-enylcyclohex-2-en-1-one
CID 139249588
3-(Trifluoromethyl)-2-oxaspiro[5.5]undec-3-en-5-one
CID 15312548
6-Methyl-3-[(2-methylpropan-2-yl)oxy]-6-(3-oxobutyl)cyclohex-2-en-1-one
CID 10777209
1-Butoxy-2-methylspiro[3.5]non-1-en-3-one
CID 21919556
1-Butoxy-2-propylspiro[3.5]non-1-en-3-one
CID 21919771
2-(1-Ethoxybut-1-enyl)-2-methylcyclohexan-1-one
CID 134357201
2-Methoxyspiro[5.5]undec-2-en-4-one
CID 12927630
2-Ethoxyspiro[5.5]undec-2-en-4-one
CID 45116905

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyspiro[3.5]non-1-ene-3,7-dione?
The IUPAC name of 1-ethoxyspiro[3.5]non-1-ene-3,7-dione (CID 141067825) is 1-ethoxyspiro[3.5]non-1-ene-3,7-dione.
What is the SMILES notation for 1-ethoxyspiro[3.5]non-1-ene-3,7-dione?
The canonical SMILES for 1-ethoxyspiro[3.5]non-1-ene-3,7-dione is CCOC1=CC(=O)C12CCC(=O)CC2.
What is the InChIKey of 1-ethoxyspiro[3.5]non-1-ene-3,7-dione?
The InChIKey is MXXDBAKYNMIBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-14-10-7-9(13)11(10)5-3-8(12)4-6-11/h7H,2-6H2,1H3.
What are the key properties of 1-ethoxyspiro[3.5]non-1-ene-3,7-dione?
1-ethoxyspiro[3.5]non-1-ene-3,7-dione has a molecular weight of 194.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyspiro[3.5]non-1-ene-3,7-dione is sourced from PubChem (CID 141067825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).