3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione

C11H14O4 — CID 70899926

IUPAC3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESCC=C1C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C11H14O4/c1-2-8-9(12)14-11(15-10(8)13)6-4-3-5-7-11/h2H,3-7H2,1H3
InChIKeyZRBVRHDHWCNQNS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.69
Rot. Bonds

About 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione

3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione (PubChem CID 70899926) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
PubChem CID70899926
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESCC=C1C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C11H14O4/c1-2-8-9(12)14-11(15-10(8)13)6-4-3-5-7-11/h2H,3-7H2,1H3
InChIKeyZRBVRHDHWCNQNS-UHFFFAOYSA-N
XLogP1.69
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione (CID 70899926) is 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione is CC=C1C(=O)OC2(CCCCC2)OC1=O.
What is the InChIKey of 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The InChIKey is ZRBVRHDHWCNQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-2-8-9(12)14-11(15-10(8)13)6-4-3-5-7-11/h2H,3-7H2,1H3.
What are the key properties of 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 70899926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).