11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one

C11H16O3 — CID 101052019

IUPAC11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
SMILESCCC1CC(=O)C=CC12OCCCO2
InChIInChI=1S/C11H16O3/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyMEXHXJIZSIHENV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds1

About 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one

11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one (PubChem CID 101052019) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one.

Molecular Properties

Compound Name11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
PubChem CID101052019
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one
SMILESCCC1CC(=O)C=CC12OCCCO2
InChIInChI=1S/C11H16O3/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyMEXHXJIZSIHENV-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
The IUPAC name of 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one (CID 101052019) is 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one.
What is the SMILES notation for 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
The canonical SMILES for 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one is CCC1CC(=O)C=CC12OCCCO2.
What is the InChIKey of 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
The InChIKey is MEXHXJIZSIHENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-2-9-8-10(12)4-5-11(9)13-6-3-7-14-11/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one?
11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one has a molecular weight of 196.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-1,5-dioxaspiro[5.5]undec-7-en-9-one is sourced from PubChem (CID 101052019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).