2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane

C14H20O3 — CID 102280719

IUPAC2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane
SMILESCCC1(Oc2cccc(C)c2)OC(C)C(C)O1
InChIInChI=1S/C14H20O3/c1-5-14(15-11(3)12(4)16-14)17-13-8-6-7-10(2)9-13/h6-9,11-12H,5H2,1-4H3
InChIKeyLQJVLZFIRLOESZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.26
Rot. Bonds3

About 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane

2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane (PubChem CID 102280719) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane
PubChem CID102280719
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane
SMILESCCC1(Oc2cccc(C)c2)OC(C)C(C)O1
InChIInChI=1S/C14H20O3/c1-5-14(15-11(3)12(4)16-14)17-13-8-6-7-10(2)9-13/h6-9,11-12H,5H2,1-4H3
InChIKeyLQJVLZFIRLOESZ-UHFFFAOYSA-N
XLogP3.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-5,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxane
CID 25232654
2-methyl-3-[(3-methylphenoxy)methyl]oxirane
CID 12882728
3-ethyl-3-[(3-methylphenoxy)methyl]oxetane
CID 70976864
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
[1-(3-methylphenoxy)cyclopropyl]methanamine
CID 83920734
1-hexadecoxy-3-methylbenzene
CID 154641790
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-methyl-3-pentadecoxybenzene
CID 154641822
1-(3-methylphenoxy)cyclobutan-1-amine
CID 46835645
5-(3-methylphenoxy)pentoxyphosphane
CID 175344008
4-(3-methylphenoxy)butoxyphosphane;hydrobromide
CID 174049050

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane?
The IUPAC name of 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane (CID 102280719) is 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane is CCC1(Oc2cccc(C)c2)OC(C)C(C)O1.
What is the InChIKey of 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane?
The InChIKey is LQJVLZFIRLOESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-14(15-11(3)12(4)16-14)17-13-8-6-7-10(2)9-13/h6-9,11-12H,5H2,1-4H3.
What are the key properties of 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane?
2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane has a molecular weight of 236.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-2-(3-methylphenoxy)-1,3-dioxolane is sourced from PubChem (CID 102280719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).