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

C10H12O4 — CID 21058291

IUPAC3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESC=C1C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H12O4/c1-7-8(11)13-10(14-9(7)12)5-3-2-4-6-10/h1-6H2
InChIKeyKCYJHAMSDGRXOF-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.30
Rot. Bonds

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

3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione (PubChem CID 21058291) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
PubChem CID21058291
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
SMILESC=C1C(=O)OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H12O4/c1-7-8(11)13-10(14-9(7)12)5-3-2-4-6-10/h1-6H2
InChIKeyKCYJHAMSDGRXOF-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.30
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-Propan-2-ylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 14906879
8-Methylidene-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 17847100
3-Prop-2-enylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 59809437
3-Ethylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 70899926
3-Methylidene-1,5-dioxaspiro[5.7]tridecane-2,4-dione
CID 129095929
2,2-Diethyl-5-methylidene-1,3-dioxane-4,6-dione
CID 139540008
2-Hexyl-2-methyl-5-methylidene-1,3-dioxane-4,6-dione
CID 139540010
2-Heptyl-2-methyl-5-methylidene-1,3-dioxane-4,6-dione
CID 139694631
3-Methylidene-1,5-dioxaspiro[5.9]pentadecane-2,4-dione
CID 139694635
2-Butyl-2-methyl-5-methylidene-1,3-dioxane-4,6-dione
CID 139694639
2-Methyl-5-methylidene-2-undecyl-1,3-dioxane-4,6-dione
CID 139694640
2-Dodecyl-2-methyl-5-methylidene-1,3-dioxane-4,6-dione
CID 139694641

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione (CID 21058291) is 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione is C=C1C(=O)OC2(CCCCC2)OC1=O.
What is the InChIKey of 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
The InChIKey is KCYJHAMSDGRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-7-8(11)13-10(14-9(7)12)5-3-2-4-6-10/h1-6H2.
What are the key properties of 3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione?
3-methylidene-1,5-dioxaspiro[5.5]undecane-2,4-dione has a molecular weight of 196.20 g/mol, XLogP of 1.30, 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[5.5]undecane-2,4-dione is sourced from PubChem (CID 21058291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).