2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione

C10H12O4 — CID 10750377

IUPAC2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
SMILESC=CC1CC12C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C10H12O4/c1-4-6-5-10(6)7(11)13-9(2,3)14-8(10)12/h4,6H,1,5H2,2-3H3
InChIKeyLHOWRYQIMFIXLH-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.01
Rot. Bonds1

About 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione

2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione (PubChem CID 10750377) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione.

Molecular Properties

Compound Name2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
PubChem CID10750377
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione
SMILESC=CC1CC12C(=O)OC(C)(C)OC2=O
InChIInChI=1S/C10H12O4/c1-4-6-5-10(6)7(11)13-9(2,3)14-8(10)12/h4,6H,1,5H2,2-3H3
InChIKeyLHOWRYQIMFIXLH-UHFFFAOYSA-N
XLogP1.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione?
The IUPAC name of 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione (CID 10750377) is 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione.
What is the SMILES notation for 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione?
The canonical SMILES for 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione is C=CC1CC12C(=O)OC(C)(C)OC2=O.
What is the InChIKey of 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione?
The InChIKey is LHOWRYQIMFIXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-4-6-5-10(6)7(11)13-9(2,3)14-8(10)12/h4,6H,1,5H2,2-3H3.
What are the key properties of 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione?
2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione has a molecular weight of 196.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6,6-dimethyl-5,7-dioxaspiro[2.5]octane-4,8-dione is sourced from PubChem (CID 10750377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).