1,6-dioxaspiro[4.4]non-3-ene

C7H10O2 — CID 10374471

IUPAC1,6-dioxaspiro[4.4]non-3-ene
SMILESC1=CC2(CCCO2)OC1
InChIInChI=1S/C7H10O2/c1-3-7(8-5-1)4-2-6-9-7/h1,3H,2,4-6H2
InChIKeyXEDFYVROXDVQLQ-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.08
Rot. Bonds

About 1,6-dioxaspiro[4.4]non-3-ene

1,6-dioxaspiro[4.4]non-3-ene (PubChem CID 10374471) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1,6-dioxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name1,6-dioxaspiro[4.4]non-3-ene
PubChem CID10374471
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1,6-dioxaspiro[4.4]non-3-ene
SMILESC1=CC2(CCCO2)OC1
InChIInChI=1S/C7H10O2/c1-3-7(8-5-1)4-2-6-9-7/h1,3H,2,4-6H2
InChIKeyXEDFYVROXDVQLQ-UHFFFAOYSA-N
XLogP1.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxaspiro[4.4]non-3-ene?
The IUPAC name of 1,6-dioxaspiro[4.4]non-3-ene (CID 10374471) is 1,6-dioxaspiro[4.4]non-3-ene.
What is the SMILES notation for 1,6-dioxaspiro[4.4]non-3-ene?
The canonical SMILES for 1,6-dioxaspiro[4.4]non-3-ene is C1=CC2(CCCO2)OC1.
What is the InChIKey of 1,6-dioxaspiro[4.4]non-3-ene?
The InChIKey is XEDFYVROXDVQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-7(8-5-1)4-2-6-9-7/h1,3H,2,4-6H2.
What are the key properties of 1,6-dioxaspiro[4.4]non-3-ene?
1,6-dioxaspiro[4.4]non-3-ene has a molecular weight of 126.15 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxaspiro[4.4]non-3-ene is sourced from PubChem (CID 10374471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).