1,4-dioxaspiro[4.5]deca-6,8-diene

C8H10O2 — CID 53440555

IUPAC1,4-dioxaspiro[4.5]deca-6,8-diene
SMILESC1=CCC2(C=C1)OCCO2
InChIInChI=1S/C8H10O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-4H,5-7H2
InChIKeyOZTMAGHDNCKYBW-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.25
Rot. Bonds

About 1,4-dioxaspiro[4.5]deca-6,8-diene

1,4-dioxaspiro[4.5]deca-6,8-diene (PubChem CID 53440555) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.5]deca-6,8-diene.

Molecular Properties

Compound Name1,4-dioxaspiro[4.5]deca-6,8-diene
PubChem CID53440555
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1,4-dioxaspiro[4.5]deca-6,8-diene
SMILESC1=CCC2(C=C1)OCCO2
InChIInChI=1S/C8H10O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-4H,5-7H2
InChIKeyOZTMAGHDNCKYBW-UHFFFAOYSA-N
XLogP1.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.5]deca-6,8-diene?
The IUPAC name of 1,4-dioxaspiro[4.5]deca-6,8-diene (CID 53440555) is 1,4-dioxaspiro[4.5]deca-6,8-diene.
What is the SMILES notation for 1,4-dioxaspiro[4.5]deca-6,8-diene?
The canonical SMILES for 1,4-dioxaspiro[4.5]deca-6,8-diene is C1=CCC2(C=C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.5]deca-6,8-diene?
The InChIKey is OZTMAGHDNCKYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-4H,5-7H2.
What are the key properties of 1,4-dioxaspiro[4.5]deca-6,8-diene?
1,4-dioxaspiro[4.5]deca-6,8-diene has a molecular weight of 138.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.5]deca-6,8-diene is sourced from PubChem (CID 53440555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).