7-ethenyl-1,4-dioxaspiro[4.5]decane

C10H16O2 — CID 69192706

IUPAC7-ethenyl-1,4-dioxaspiro[4.5]decane
SMILESC=CC1CCCC2(C1)OCCO2
InChIInChI=1S/C10H16O2/c1-2-9-4-3-5-10(8-9)11-6-7-12-10/h2,9H,1,3-8H2
InChIKeyHINHVHVNKGETMK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds1

About 7-ethenyl-1,4-dioxaspiro[4.5]decane

7-ethenyl-1,4-dioxaspiro[4.5]decane (PubChem CID 69192706) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 7-ethenyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name7-ethenyl-1,4-dioxaspiro[4.5]decane
PubChem CID69192706
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name7-ethenyl-1,4-dioxaspiro[4.5]decane
SMILESC=CC1CCCC2(C1)OCCO2
InChIInChI=1S/C10H16O2/c1-2-9-4-3-5-10(8-9)11-6-7-12-10/h2,9H,1,3-8H2
InChIKeyHINHVHVNKGETMK-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.11
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 7-ethenyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 7-ethenyl-1,4-dioxaspiro[4.5]decane (CID 69192706) is 7-ethenyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 7-ethenyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 7-ethenyl-1,4-dioxaspiro[4.5]decane is C=CC1CCCC2(C1)OCCO2.
What is the InChIKey of 7-ethenyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is HINHVHVNKGETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-9-4-3-5-10(8-9)11-6-7-12-10/h2,9H,1,3-8H2.
What are the key properties of 7-ethenyl-1,4-dioxaspiro[4.5]decane?
7-ethenyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 168.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 69192706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).