2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane

C15H22O3 — CID 25232654

IUPAC2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane
SMILESCCC1(Oc2cccc(C)c2)OCC(C)(C)CO1
InChIInChI=1S/C15H22O3/c1-5-15(16-10-14(3,4)11-17-15)18-13-8-6-7-12(2)9-13/h6-9H,5,10-11H2,1-4H3
InChIKeySEEMIANQNYVUFL-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.51
Rot. Bonds3

About 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane

2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane (PubChem CID 25232654) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane
PubChem CID25232654
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane
SMILESCCC1(Oc2cccc(C)c2)OCC(C)(C)CO1
InChIInChI=1S/C15H22O3/c1-5-15(16-10-14(3,4)11-17-15)18-13-8-6-7-12(2)9-13/h6-9H,5,10-11H2,1-4H3
InChIKeySEEMIANQNYVUFL-UHFFFAOYSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane
CID 102280719
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-(3-methylphenoxy)cyclobutan-1-amine
CID 46835645
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane
CID 175363098
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
1-hexadecoxy-3-methylbenzene
CID 154641790
1-ethyl-4-(3-methylphenoxy)benzene
CID 54200256
1-methyl-3-pentadecoxybenzene
CID 154641822
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane?
The IUPAC name of 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane (CID 25232654) is 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane?
The canonical SMILES for 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane is CCC1(Oc2cccc(C)c2)OCC(C)(C)CO1.
What is the InChIKey of 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane?
The InChIKey is SEEMIANQNYVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-15(16-10-14(3,4)11-17-15)18-13-8-6-7-12(2)9-13/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane?
2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane has a molecular weight of 250.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane is sourced from PubChem (CID 25232654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).