6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one

C10H14O3 — CID 89215662

IUPAC6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one
SMILESC=C1CC2(CCOC2CC)OC1=O
InChIInChI=1S/C10H14O3/c1-3-8-10(4-5-12-8)6-7(2)9(11)13-10/h8H,2-6H2,1H3
InChIKeyHHSXTFVHNXFFFX-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.43
Rot. Bonds1

About 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one

6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one (PubChem CID 89215662) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one
PubChem CID89215662
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one
SMILESC=C1CC2(CCOC2CC)OC1=O
InChIInChI=1S/C10H14O3/c1-3-8-10(4-5-12-8)6-7(2)9(11)13-10/h8H,2-6H2,1H3
InChIKeyHHSXTFVHNXFFFX-UHFFFAOYSA-N
XLogP1.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one?
The IUPAC name of 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one (CID 89215662) is 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one.
What is the SMILES notation for 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one?
The canonical SMILES for 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one is C=C1CC2(CCOC2CC)OC1=O.
What is the InChIKey of 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one?
The InChIKey is HHSXTFVHNXFFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-8-10(4-5-12-8)6-7(2)9(11)13-10/h8H,2-6H2,1H3.
What are the key properties of 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one?
6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one has a molecular weight of 182.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methylidene-1,7-dioxaspiro[4.4]nonan-2-one is sourced from PubChem (CID 89215662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).