2,2,3,3,5-pentaethoxy-1,4-dioxane

C14H28O7 — CID 150418593

IUPAC2,2,3,3,5-pentaethoxy-1,4-dioxane
SMILESCCOC1COC(OCC)(OCC)C(OCC)(OCC)O1
InChIInChI=1S/C14H28O7/c1-6-15-12-11-20-13(16-7-2,17-8-3)14(21-12,18-9-4)19-10-5/h12H,6-11H2,1-5H3
InChIKeyHHHJLGTUANIZSW-UHFFFAOYSA-N
MW308.37 g/mol
LogP1.85
Rot. Bonds10

About 2,2,3,3,5-pentaethoxy-1,4-dioxane

2,2,3,3,5-pentaethoxy-1,4-dioxane (PubChem CID 150418593) has the molecular formula C14H28O7 and a molecular weight of 308.37 g/mol. Its IUPAC name is 2,2,3,3,5-pentaethoxy-1,4-dioxane.

Molecular Properties

Compound Name2,2,3,3,5-pentaethoxy-1,4-dioxane
PubChem CID150418593
Molecular FormulaC14H28O7
Molecular Weight308.37 g/mol
Exact Mass308.18
IUPAC Name2,2,3,3,5-pentaethoxy-1,4-dioxane
SMILESCCOC1COC(OCC)(OCC)C(OCC)(OCC)O1
InChIInChI=1S/C14H28O7/c1-6-15-12-11-20-13(16-7-2,17-8-3)14(21-12,18-9-4)19-10-5/h12H,6-11H2,1-5H3
InChIKeyHHHJLGTUANIZSW-UHFFFAOYSA-N
XLogP1.85
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2,3,3,5-pentaethoxy-1,4-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-2,2-dimethyl-1,4-dioxane
CID 12732955
6-ethoxy-3,3-dimethyl-1,4-dioxan-2-one
CID 10797320
2,2-diethoxy-1,3-dioxan-5-amine
CID 59657937
(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163360489
(2,5-diethoxyoxolan-2-yl)methanol
CID 150634003
2-ethoxy-1-oxaspiro[4.4]nonane
CID 549196
(2S,4R)-2-ethoxy-4-methyloxolane
CID 102317683
(2R,4S)-2-ethoxy-4-methyloxolane
CID 10558657
3,4-diethoxyoxolane
CID 14307969
2,2,3-triethoxy-3-methyloxane
CID 150971833
ethyl 3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxopropanoate
CID 129410617
2-[difluoro(nitro)methyl]-4-ethoxy-2-(trifluoromethyl)oxetane
CID 131849618

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentaethoxy-1,4-dioxane?
The IUPAC name of 2,2,3,3,5-pentaethoxy-1,4-dioxane (CID 150418593) is 2,2,3,3,5-pentaethoxy-1,4-dioxane.
What is the SMILES notation for 2,2,3,3,5-pentaethoxy-1,4-dioxane?
The canonical SMILES for 2,2,3,3,5-pentaethoxy-1,4-dioxane is CCOC1COC(OCC)(OCC)C(OCC)(OCC)O1.
What is the InChIKey of 2,2,3,3,5-pentaethoxy-1,4-dioxane?
The InChIKey is HHHJLGTUANIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7/c1-6-15-12-11-20-13(16-7-2,17-8-3)14(21-12,18-9-4)19-10-5/h12H,6-11H2,1-5H3.
What are the key properties of 2,2,3,3,5-pentaethoxy-1,4-dioxane?
2,2,3,3,5-pentaethoxy-1,4-dioxane has a molecular weight of 308.37 g/mol, XLogP of 1.85, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentaethoxy-1,4-dioxane is sourced from PubChem (CID 150418593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).