8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene

C10H16O2 — CID 88992933

IUPAC8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O2/c1-2-9-3-5-10(6-4-9)11-7-8-12-10/h3H,2,4-8H2,1H3
InChIKeyFMVCPCRISQPVCH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.25
Rot. Bonds1

About 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene

8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 88992933) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID88992933
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O2/c1-2-9-3-5-10(6-4-9)11-7-8-12-10/h3H,2,4-8H2,1H3
InChIKeyFMVCPCRISQPVCH-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 88992933) is 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene is CCC1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is FMVCPCRISQPVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-9-3-5-10(6-4-9)11-7-8-12-10/h3H,2,4-8H2,1H3.
What are the key properties of 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 168.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 88992933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).