3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene

C12H18O2 — CID 54433852

IUPAC3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC=CC1OCC2(CC=CCC2)CO1
InChIInChI=1S/C12H18O2/c1-2-6-11-13-9-12(10-14-11)7-4-3-5-8-12/h2-4,6,11H,5,7-10H2,1H3
InChIKeyWJJDWNLIVOBXKR-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.66
Rot. Bonds1

About 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene

3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene (PubChem CID 54433852) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene.

Molecular Properties

Compound Name3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene
PubChem CID54433852
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene
SMILESCC=CC1OCC2(CC=CCC2)CO1
InChIInChI=1S/C12H18O2/c1-2-6-11-13-9-12(10-14-11)7-4-3-5-8-12/h2-4,6,11H,5,7-10H2,1H3
InChIKeyWJJDWNLIVOBXKR-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.66
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 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene?
The IUPAC name of 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene (CID 54433852) is 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene.
What is the SMILES notation for 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene?
The canonical SMILES for 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene is CC=CC1OCC2(CC=CCC2)CO1.
What is the InChIKey of 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene?
The InChIKey is WJJDWNLIVOBXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-6-11-13-9-12(10-14-11)7-4-3-5-8-12/h2-4,6,11H,5,7-10H2,1H3.
What are the key properties of 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene?
3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene has a molecular weight of 194.27 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enyl-2,4-dioxaspiro[5.5]undec-9-ene is sourced from PubChem (CID 54433852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).