8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene

C12H18O2 — CID 71344896

IUPAC8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=CCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C12H18O2/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-12/h2,5H,1,3-4,6-10H2
InChIKeyZPOCWPXHHVVKQF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.81
Rot. Bonds3

About 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene

8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 71344896) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID71344896
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=CCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C12H18O2/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-12/h2,5H,1,3-4,6-10H2
InChIKeyZPOCWPXHHVVKQF-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.81
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 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 71344896) is 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene is C=CCCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is ZPOCWPXHHVVKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-3-4-11-5-7-12(8-6-11)13-9-10-14-12/h2,5H,1,3-4,6-10H2.
What are the key properties of 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 194.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-3-enyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 71344896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).