2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

C10H16O2 — CID 15933005

IUPAC2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESCCC1=CC12OCC(C)(C)CO2
InChIInChI=1S/C10H16O2/c1-4-8-5-10(8)11-6-9(2,3)7-12-10/h5H,4,6-7H2,1-3H3
InChIKeyHEZQTIYZCKPYRC-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.11
Rot. Bonds1

About 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene

2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (PubChem CID 15933005) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.

Molecular Properties

Compound Name2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
PubChem CID15933005
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
SMILESCCC1=CC12OCC(C)(C)CO2
InChIInChI=1S/C10H16O2/c1-4-8-5-10(8)11-6-9(2,3)7-12-10/h5H,4,6-7H2,1-3H3
InChIKeyHEZQTIYZCKPYRC-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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Related Compounds

1,3-Dioxane, 2-(2,6-dimethyl-1,5-heptadien-1-yl)-4-methyl-
CID 5356478
2-(2,6-Dimethyl-1,5-heptadien-1-yl)-1,3-dioxane
CID 793796
2,5,5-Trimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane
CID 95982
(E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)-5,5-dimethyl-1,3-dioxane
CID 928669
4,8-Dioxaspiro[2.5]oct-1-ene, 1-butyl-6,6-dimethyl-
CID 10420216
2-[(E)-hex-1-enyl]-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 10421105
8,8-Dimethyl-4-methylidene-2-(2-methylprop-1-enyl)-1,6,10-trioxaspiro[4.5]decane
CID 14738892
(5R,7R)-2-ethyl-5,7-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene
CID 14788910
(2Z)-2-(2,2-dimethylpropylidene)-6,6-dimethyl-4,8-dioxaspiro[2.5]octane
CID 134897173
2-(2,6-Dimethylhepta-1,5-dienyl)-4-methyl-1,3-dioxane
CID 93622
2-[(1Z)-2,6-dimethylhepta-1,5-dienyl]-5,5-dimethyl-1,3-dioxane
CID 1551072
(E)-2-(2,6-dimethylhepta-1,5-dien-1-yl)-4-methyl-1,3-dioxane
CID 5806292

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The IUPAC name of 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene (CID 15933005) is 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene.
What is the SMILES notation for 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The canonical SMILES for 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is CCC1=CC12OCC(C)(C)CO2.
What is the InChIKey of 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
The InChIKey is HEZQTIYZCKPYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-8-5-10(8)11-6-9(2,3)7-12-10/h5H,4,6-7H2,1-3H3.
What are the key properties of 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene?
2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene 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 2-ethyl-6,6-dimethyl-4,8-dioxaspiro[2.5]oct-1-ene is sourced from PubChem (CID 15933005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).