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

C12H22O2 — CID 144926160

IUPACethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC.CCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O2.C2H6/c1-2-9-3-5-10(6-4-9)11-7-8-12-10;1-2/h3H,2,4-8H2,1H3;1-2H3
InChIKeyWEDMCOZCXRDZAR-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds1

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

ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 144926160) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Nameethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID144926160
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCC.CCC1=CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O2.C2H6/c1-2-9-3-5-10(6-4-9)11-7-8-12-10;1-2/h3H,2,4-8H2,1H3;1-2H3
InChIKeyWEDMCOZCXRDZAR-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
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 ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 144926160) is ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene is CC.CCC1=CCC2(CC1)OCCO2.
What is the InChIKey of ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is WEDMCOZCXRDZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C2H6/c1-2-9-3-5-10(6-4-9)11-7-8-12-10;1-2/h3H,2,4-8H2,1H3;1-2H3.
What are the key properties of ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene?
ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 198.31 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 144926160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).