1,4-dioxaspiro[4.6]undeca-6,8,10-triene

C9H10O2 — CID 11469161

IUPAC1,4-dioxaspiro[4.6]undeca-6,8,10-triene
SMILESC1=CC=CC2(C=C1)OCCO2
InChIInChI=1S/C9H10O2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-6H,7-8H2
InChIKeyHZTPUMZZXMIRMY-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.41
Rot. Bonds

About 1,4-dioxaspiro[4.6]undeca-6,8,10-triene

1,4-dioxaspiro[4.6]undeca-6,8,10-triene (PubChem CID 11469161) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1,4-dioxaspiro[4.6]undeca-6,8,10-triene.

Molecular Properties

Compound Name1,4-dioxaspiro[4.6]undeca-6,8,10-triene
PubChem CID11469161
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1,4-dioxaspiro[4.6]undeca-6,8,10-triene
SMILESC1=CC=CC2(C=C1)OCCO2
InChIInChI=1S/C9H10O2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-6H,7-8H2
InChIKeyHZTPUMZZXMIRMY-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,4-dioxaspiro[4.6]undeca-6,8,10-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxaspiro[4.6]undeca-6,8,10-triene?
The IUPAC name of 1,4-dioxaspiro[4.6]undeca-6,8,10-triene (CID 11469161) is 1,4-dioxaspiro[4.6]undeca-6,8,10-triene.
What is the SMILES notation for 1,4-dioxaspiro[4.6]undeca-6,8,10-triene?
The canonical SMILES for 1,4-dioxaspiro[4.6]undeca-6,8,10-triene is C1=CC=CC2(C=C1)OCCO2.
What is the InChIKey of 1,4-dioxaspiro[4.6]undeca-6,8,10-triene?
The InChIKey is HZTPUMZZXMIRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-6-9(5-3-1)10-7-8-11-9/h1-6H,7-8H2.
What are the key properties of 1,4-dioxaspiro[4.6]undeca-6,8,10-triene?
1,4-dioxaspiro[4.6]undeca-6,8,10-triene has a molecular weight of 150.18 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxaspiro[4.6]undeca-6,8,10-triene is sourced from PubChem (CID 11469161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).