1-ethoxyspiro[3.6]dec-1-en-3-one

C12H18O2 — CID 55297695

IUPAC1-ethoxyspiro[3.6]dec-1-en-3-one
SMILESCCOC1=CC(=O)C12CCCCCC2
InChIInChI=1S/C12H18O2/c1-2-14-11-9-10(13)12(11)7-5-3-4-6-8-12/h9H,2-8H2,1H3
InChIKeyFZVJQMCKSUNZHO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

About 1-ethoxyspiro[3.6]dec-1-en-3-one

1-ethoxyspiro[3.6]dec-1-en-3-one (PubChem CID 55297695) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-ethoxyspiro[3.6]dec-1-en-3-one.

Molecular Properties

Compound Name1-ethoxyspiro[3.6]dec-1-en-3-one
PubChem CID55297695
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-ethoxyspiro[3.6]dec-1-en-3-one
SMILESCCOC1=CC(=O)C12CCCCCC2
InChIInChI=1S/C12H18O2/c1-2-14-11-9-10(13)12(11)7-5-3-4-6-8-12/h9H,2-8H2,1H3
InChIKeyFZVJQMCKSUNZHO-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 1-ethoxyspiro[3.6]dec-1-en-3-one?
The IUPAC name of 1-ethoxyspiro[3.6]dec-1-en-3-one (CID 55297695) is 1-ethoxyspiro[3.6]dec-1-en-3-one.
What is the SMILES notation for 1-ethoxyspiro[3.6]dec-1-en-3-one?
The canonical SMILES for 1-ethoxyspiro[3.6]dec-1-en-3-one is CCOC1=CC(=O)C12CCCCCC2.
What is the InChIKey of 1-ethoxyspiro[3.6]dec-1-en-3-one?
The InChIKey is FZVJQMCKSUNZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-14-11-9-10(13)12(11)7-5-3-4-6-8-12/h9H,2-8H2,1H3.
What are the key properties of 1-ethoxyspiro[3.6]dec-1-en-3-one?
1-ethoxyspiro[3.6]dec-1-en-3-one has a molecular weight of 194.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyspiro[3.6]dec-1-en-3-one is sourced from PubChem (CID 55297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).