2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol

C13H24O4 — CID 151640617

IUPAC2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol
SMILESCC1OC(C)C(C)(CCCOC=CO)OC1C
InChIInChI=1S/C13H24O4/c1-10-11(2)17-13(4,12(3)16-10)6-5-8-15-9-7-14/h7,9-12,14H,5-6,8H2,1-4H3
InChIKeyQSLHDJXQJHXIDJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.78
Rot. Bonds5

About 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol

2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol (PubChem CID 151640617) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol.

Molecular Properties

Compound Name2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol
PubChem CID151640617
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol
SMILESCC1OC(C)C(C)(CCCOC=CO)OC1C
InChIInChI=1S/C13H24O4/c1-10-11(2)17-13(4,12(3)16-10)6-5-8-15-9-7-14/h7,9-12,14H,5-6,8H2,1-4H3
InChIKeyQSLHDJXQJHXIDJ-UHFFFAOYSA-N
XLogP2.78
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-Ethenoxypropyl)-2-ethyl-1,4-dioxane
CID 176605139

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?
The IUPAC name of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol (CID 151640617) is 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol.
What is the SMILES notation for 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?
The canonical SMILES for 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol is CC1OC(C)C(C)(CCCOC=CO)OC1C.
What is the InChIKey of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?
The InChIKey is QSLHDJXQJHXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-10-11(2)17-13(4,12(3)16-10)6-5-8-15-9-7-14/h7,9-12,14H,5-6,8H2,1-4H3.
What are the key properties of 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol?
2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol has a molecular weight of 244.33 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,5,6-tetramethyl-1,4-dioxan-2-yl)propoxy]ethenol is sourced from PubChem (CID 151640617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).