[2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol

C10H20O6 — CID 10879102

IUPAC[2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
SMILESCCOC1(CO)COC(CO)(OCC)CO1
InChIInChI=1S/C10H20O6/c1-3-13-9(5-11)7-16-10(6-12,8-15-9)14-4-2/h11-12H,3-8H2,1-2H3
InChIKeyNKGLBIUNLDMHDY-UHFFFAOYSA-N
MW236.26 g/mol
LogP-0.52
Rot. Bonds6

About [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol

[2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol (PubChem CID 10879102) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
PubChem CID10879102
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name[2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
SMILESCCOC1(CO)COC(CO)(OCC)CO1
InChIInChI=1S/C10H20O6/c1-3-13-9(5-11)7-16-10(6-12,8-15-9)14-4-2/h11-12H,3-8H2,1-2H3
InChIKeyNKGLBIUNLDMHDY-UHFFFAOYSA-N
XLogP-0.52
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol?
The IUPAC name of [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol (CID 10879102) is [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol is CCOC1(CO)COC(CO)(OCC)CO1.
What is the InChIKey of [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol?
The InChIKey is NKGLBIUNLDMHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O6/c1-3-13-9(5-11)7-16-10(6-12,8-15-9)14-4-2/h11-12H,3-8H2,1-2H3.
What are the key properties of [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol?
[2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol has a molecular weight of 236.26 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-diethoxy-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 10879102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).