1,4-dioxaspiro[4.4]nona-6,8-diene

C7H8O2 — CID 53440512

IUPAC1,4-dioxaspiro[4.4]nona-6,8-diene
SMILESC1=CC2(C=C1)OCCO2
InChIInChI=1S/C7H8O2/c1-2-4-7(3-1)8-5-6-9-7/h1-4H,5-6H2
InChIKeyUALBYISAMVUACM-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.86
Rot. Bonds

About 1,4-dioxaspiro[4.4]nona-6,8-diene

1,4-dioxaspiro[4.4]nona-6,8-diene (PubChem CID 53440512) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.4]nona-6,8-diene.

Molecular Properties

Compound Name1,4-dioxaspiro[4.4]nona-6,8-diene
PubChem CID53440512
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name1,4-dioxaspiro[4.4]nona-6,8-diene
SMILESC1=CC2(C=C1)OCCO2
InChIInChI=1S/C7H8O2/c1-2-4-7(3-1)8-5-6-9-7/h1-4H,5-6H2
InChIKeyUALBYISAMVUACM-UHFFFAOYSA-N
XLogP0.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.4]nona-6,8-diene?
The IUPAC name of 1,4-dioxaspiro[4.4]nona-6,8-diene (CID 53440512) is 1,4-dioxaspiro[4.4]nona-6,8-diene.
What is the SMILES notation for 1,4-dioxaspiro[4.4]nona-6,8-diene?
The canonical SMILES for 1,4-dioxaspiro[4.4]nona-6,8-diene is C1=CC2(C=C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.4]nona-6,8-diene?
The InChIKey is UALBYISAMVUACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-4-7(3-1)8-5-6-9-7/h1-4H,5-6H2.
What are the key properties of 1,4-dioxaspiro[4.4]nona-6,8-diene?
1,4-dioxaspiro[4.4]nona-6,8-diene has a molecular weight of 124.14 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.4]nona-6,8-diene is sourced from PubChem (CID 53440512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).