3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione

C11H14O4 — CID 139694670

IUPAC3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione
SMILESC=C1C(=O)OC2(CCCCCC2)OC1=O
InChIInChI=1S/C11H14O4/c1-8-9(12)14-11(15-10(8)13)6-4-2-3-5-7-11/h1-7H2
InChIKeyLZQUYZMDUGYTOM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.69
Rot. Bonds

About 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione

3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione (PubChem CID 139694670) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione.

Molecular Properties

Compound Name3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione
PubChem CID139694670
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione
SMILESC=C1C(=O)OC2(CCCCCC2)OC1=O
InChIInChI=1S/C11H14O4/c1-8-9(12)14-11(15-10(8)13)6-4-2-3-5-7-11/h1-7H2
InChIKeyLZQUYZMDUGYTOM-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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Related Compounds

3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 21058291
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778
3-iodo-2-methyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 15001686
spiro[1,3-benzodioxine-2,1'-cyclooctane]-4-one
CID 172559881
spiro[3,5-dioxabicyclo[5.2.2]undeca-1(9),7,10-triene-4,1'-cyclobutane]-2,6-dione
CID 141158526
2-(2-methylpropylidene)-1,4-dioxaspiro[4.5]decan-3-one
CID 86108964
5-ethenylspiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 171601557
(6-methyl-2,3-dihydroindol-1-yl) thiohypoiodite;8-methylidene-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 144916122
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
2-methyl-3-phenyl-1,5-dioxaspiro[5.5]undec-2-en-4-one
CID 139662377
3-[3-(2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene)-2-phenylpropylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 90978245
6-bromospiro[1,3-benzodioxine-2,1'-cyclohexane]-4-one
CID 172559859

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione?
The IUPAC name of 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione (CID 139694670) is 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione.
What is the SMILES notation for 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione?
The canonical SMILES for 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione is C=C1C(=O)OC2(CCCCCC2)OC1=O.
What is the InChIKey of 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione?
The InChIKey is LZQUYZMDUGYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8-9(12)14-11(15-10(8)13)6-4-2-3-5-7-11/h1-7H2.
What are the key properties of 3-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione?
3-methylidene-1,5-dioxaspiro[5.6]dodecane-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-methylidene-1,5-dioxaspiro[5.6]dodecane-2,4-dione is sourced from PubChem (CID 139694670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).