8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene

C12H18O3 — CID 165467801

IUPAC8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=C(OCC)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C12H18O3/c1-3-13-10(2)11-4-6-12(7-5-11)14-8-9-15-12/h4H,2-3,5-9H2,1H3
InChIKeyAXCKNFWFHRDKFZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.39
Rot. Bonds3

About 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene

8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 165467801) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID165467801
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene
SMILESC=C(OCC)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C12H18O3/c1-3-13-10(2)11-4-6-12(7-5-11)14-8-9-15-12/h4H,2-3,5-9H2,1H3
InChIKeyAXCKNFWFHRDKFZ-UHFFFAOYSA-N
XLogP2.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene (CID 165467801) is 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene is C=C(OCC)C1=CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is AXCKNFWFHRDKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-13-10(2)11-4-6-12(7-5-11)14-8-9-15-12/h4H,2-3,5-9H2,1H3.
What are the key properties of 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene?
8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 210.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 165467801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).