1,7-dioxaspiro[5.5]undec-4-ene

C9H14O2 — CID 565984

IUPAC1,7-dioxaspiro[5.5]undec-4-ene
SMILESC1=CC2(CCCCO2)OCC1
InChIInChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1,5H,2-4,6-8H2
InChIKeySNYOYCMJYVTWEA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.86
Rot. Bonds

About 1,7-dioxaspiro[5.5]undec-4-ene

1,7-dioxaspiro[5.5]undec-4-ene (PubChem CID 565984) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,7-dioxaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name1,7-dioxaspiro[5.5]undec-4-ene
PubChem CID565984
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1,7-dioxaspiro[5.5]undec-4-ene
SMILESC1=CC2(CCCCO2)OCC1
InChIInChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1,5H,2-4,6-8H2
InChIKeySNYOYCMJYVTWEA-UHFFFAOYSA-N
XLogP1.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.86
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 1,7-dioxaspiro[5.5]undec-4-ene?
The IUPAC name of 1,7-dioxaspiro[5.5]undec-4-ene (CID 565984) is 1,7-dioxaspiro[5.5]undec-4-ene.
What is the SMILES notation for 1,7-dioxaspiro[5.5]undec-4-ene?
The canonical SMILES for 1,7-dioxaspiro[5.5]undec-4-ene is C1=CC2(CCCCO2)OCC1.
What is the InChIKey of 1,7-dioxaspiro[5.5]undec-4-ene?
The InChIKey is SNYOYCMJYVTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-7-10-9(5-1)6-2-4-8-11-9/h1,5H,2-4,6-8H2.
What are the key properties of 1,7-dioxaspiro[5.5]undec-4-ene?
1,7-dioxaspiro[5.5]undec-4-ene has a molecular weight of 154.21 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dioxaspiro[5.5]undec-4-ene is sourced from PubChem (CID 565984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).