2-(1,4-dioxan-2-yl)ethenol

C6H10O3 — CID 70486105

IUPAC2-(1,4-dioxan-2-yl)ethenol
SMILESOC=CC1COCCO1
InChIInChI=1S/C6H10O3/c7-2-1-6-5-8-3-4-9-6/h1-2,6-7H,3-5H2
InChIKeyBXLFJPOWXXRTFG-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.47
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)ethenol

2-(1,4-dioxan-2-yl)ethenol (PubChem CID 70486105) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)ethenol.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)ethenol
PubChem CID70486105
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(1,4-dioxan-2-yl)ethenol
SMILESOC=CC1COCCO1
InChIInChI=1S/C6H10O3/c7-2-1-6-5-8-3-4-9-6/h1-2,6-7H,3-5H2
InChIKeyBXLFJPOWXXRTFG-UHFFFAOYSA-N
XLogP0.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)ethenol?
The IUPAC name of 2-(1,4-dioxan-2-yl)ethenol (CID 70486105) is 2-(1,4-dioxan-2-yl)ethenol.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)ethenol?
The canonical SMILES for 2-(1,4-dioxan-2-yl)ethenol is OC=CC1COCCO1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)ethenol?
The InChIKey is BXLFJPOWXXRTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-2-1-6-5-8-3-4-9-6/h1-2,6-7H,3-5H2.
What are the key properties of 2-(1,4-dioxan-2-yl)ethenol?
2-(1,4-dioxan-2-yl)ethenol has a molecular weight of 130.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)ethenol is sourced from PubChem (CID 70486105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).