10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate

C10H10O5 — CID 70580051

IUPAC10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate
SMILESC=C1CC2=CC=C1C(=O)OCOC2=O.O
InChIInChI=1S/C10H8O4.H2O/c1-6-4-7-2-3-8(6)10(12)14-5-13-9(7)11;/h2-3H,1,4-5H2;1H2
InChIKeyLJOVHGUQPKXNBT-UHFFFAOYSA-N
MW210.18 g/mol
LogP0.03
Rot. Bonds

About 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate

10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate (PubChem CID 70580051) has the molecular formula C10H10O5 and a molecular weight of 210.18 g/mol. Its IUPAC name is 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate.

Molecular Properties

Compound Name10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate
PubChem CID70580051
Molecular FormulaC10H10O5
Molecular Weight210.18 g/mol
Exact Mass210.05
IUPAC Name10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate
SMILESC=C1CC2=CC=C1C(=O)OCOC2=O.O
InChIInChI=1S/C10H8O4.H2O/c1-6-4-7-2-3-8(6)10(12)14-5-13-9(7)11;/h2-3H,1,4-5H2;1H2
InChIKeyLJOVHGUQPKXNBT-UHFFFAOYSA-N
XLogP0.03
TPSA84.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate?
The IUPAC name of 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate (CID 70580051) is 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate.
What is the SMILES notation for 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate?
The canonical SMILES for 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate is C=C1CC2=CC=C1C(=O)OCOC2=O.O.
What is the InChIKey of 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate?
The InChIKey is LJOVHGUQPKXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4.H2O/c1-6-4-7-2-3-8(6)10(12)14-5-13-9(7)11;/h2-3H,1,4-5H2;1H2.
What are the key properties of 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate?
10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate has a molecular weight of 210.18 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidene-3,5-dioxabicyclo[5.2.2]undeca-1(9),7-diene-2,6-dione;hydrate is sourced from PubChem (CID 70580051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).