1,6-dioxaspiro[4.4]non-2-ene

C7H10O2 — CID 91204888

IUPAC1,6-dioxaspiro[4.4]non-2-ene
SMILESC1=COC2(C1)CCCO2
InChIInChI=1S/C7H10O2/c1-3-7(8-5-1)4-2-6-9-7/h1,5H,2-4,6H2
InChIKeyBBGRHXBZXGSTOF-UHFFFAOYSA-N
MW126.15 g/mol
LogP1.43
Rot. Bonds

About 1,6-dioxaspiro[4.4]non-2-ene

1,6-dioxaspiro[4.4]non-2-ene (PubChem CID 91204888) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1,6-dioxaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name1,6-dioxaspiro[4.4]non-2-ene
PubChem CID91204888
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1,6-dioxaspiro[4.4]non-2-ene
SMILESC1=COC2(C1)CCCO2
InChIInChI=1S/C7H10O2/c1-3-7(8-5-1)4-2-6-9-7/h1,5H,2-4,6H2
InChIKeyBBGRHXBZXGSTOF-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-Dioxaspiro[4.5]dec-7-ene
CID 14321881
2-Prop-2-enyl-2-(2-prop-2-enyloxolan-2-yl)oxyoxolane
CID 117834974
2-[(E)-but-2-enyl]-2-[(Z)-prop-1-enoxy]oxolane
CID 140457410
2-Methoxy-2-prop-2-enyloxolane
CID 174997546

Frequently Asked Questions

What is the IUPAC name of 1,6-dioxaspiro[4.4]non-2-ene?
The IUPAC name of 1,6-dioxaspiro[4.4]non-2-ene (CID 91204888) is 1,6-dioxaspiro[4.4]non-2-ene.
What is the SMILES notation for 1,6-dioxaspiro[4.4]non-2-ene?
The canonical SMILES for 1,6-dioxaspiro[4.4]non-2-ene is C1=COC2(C1)CCCO2.
What is the InChIKey of 1,6-dioxaspiro[4.4]non-2-ene?
The InChIKey is BBGRHXBZXGSTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-3-7(8-5-1)4-2-6-9-7/h1,5H,2-4,6H2.
What are the key properties of 1,6-dioxaspiro[4.4]non-2-ene?
1,6-dioxaspiro[4.4]non-2-ene has a molecular weight of 126.15 g/mol, XLogP of 1.43, 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-2-ene is sourced from PubChem (CID 91204888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).