8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene

C13H20O2 — CID 13213609

IUPAC8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC(C)=CCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C13H20O2/c1-11(2)3-4-12-5-7-13(8-6-12)14-9-10-15-13/h3,5H,4,6-10H2,1-2H3
InChIKeyUUYRSWULACEOIZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.20
Rot. Bonds2

About 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 13213609) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID13213609
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC(C)=CCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C13H20O2/c1-11(2)3-4-12-5-7-13(8-6-12)14-9-10-15-13/h3,5H,4,6-10H2,1-2H3
InChIKeyUUYRSWULACEOIZ-UHFFFAOYSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene 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 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 13213609) is 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene is CC(C)=CCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is UUYRSWULACEOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)3-4-12-5-7-13(8-6-12)14-9-10-15-13/h3,5H,4,6-10H2,1-2H3.
What are the key properties of 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 208.30 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbut-2-enyl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 13213609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).