2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane

C13H22O2 — CID 68733344

IUPAC2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane
SMILESCCCC=CCC1CCC2(CCCO2)O1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h4-5,12H,2-3,6-11H2,1H3
InChIKeyGVEMZRBTPWFDJX-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.42
Rot. Bonds4

About 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane

2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane (PubChem CID 68733344) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane.

Molecular Properties

Compound Name2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane
PubChem CID68733344
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane
SMILESCCCC=CCC1CCC2(CCCO2)O1
InChIInChI=1S/C13H22O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h4-5,12H,2-3,6-11H2,1H3
InChIKeyGVEMZRBTPWFDJX-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.42
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 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane?
The IUPAC name of 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane (CID 68733344) is 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane.
What is the SMILES notation for 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane?
The canonical SMILES for 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane is CCCC=CCC1CCC2(CCCO2)O1.
What is the InChIKey of 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane?
The InChIKey is GVEMZRBTPWFDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-2-3-4-5-7-12-8-10-13(15-12)9-6-11-14-13/h4-5,12H,2-3,6-11H2,1H3.
What are the key properties of 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane?
2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane has a molecular weight of 210.32 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-2-enyl-1,6-dioxaspiro[4.4]nonane is sourced from PubChem (CID 68733344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).