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

C11H18O2 — CID 123780950

IUPAC8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-3-10-4-5-11(8-9(10)2)12-6-7-13-11/h3-8H2,1-2H3
InChIKeyFTRSXPDXUIGYAP-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds1

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

8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene (PubChem CID 123780950) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
PubChem CID123780950
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene
SMILESCCC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C11H18O2/c1-3-10-4-5-11(8-9(10)2)12-6-7-13-11/h3-8H2,1-2H3
InChIKeyFTRSXPDXUIGYAP-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

8-(Propan-2-ylidene)-1,4-dioxaspiro[4.5]decane
CID 45789409
8-Tetradecyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 11313705
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
8-Cyclopropylidene-1,4-dioxaspiro[4.5]decane
CID 22502249
8-(1-Fluoroethylidene)-1,4-dioxaspiro[4.5]decane
CID 88978830
8-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023893
8-Propylidene-1,4-dioxaspiro[4.5]decane
CID 102119364
2'-Methylspiro[1,3-dioxolane-2,6'-2,3,4,5,7,8-hexahydrochromene]
CID 11031099
7-Ethenyl-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023903
2-[2-(Cyclohept-1-en-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 13215923
2-Methyl-2-(1,3,4-trimethylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134980616
2-methyl-2-[(1R,6R)-1,3,4,6-tetramethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134991460

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene (CID 123780950) is 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene is CCC1=C(C)CC2(CC1)OCCO2.
What is the InChIKey of 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
The InChIKey is FTRSXPDXUIGYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-10-4-5-11(8-9(10)2)12-6-7-13-11/h3-8H2,1-2H3.
What are the key properties of 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene?
8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene has a molecular weight of 182.26 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-7-methyl-1,4-dioxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 123780950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).