[5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol

C12H22O7 — CID 71330777

IUPAC[5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol
SMILESOCC1(COCC2(CO)COCOC2)COCOC1
InChIInChI=1S/C12H22O7/c13-1-11(5-16-9-17-6-11)3-15-4-12(2-14)7-18-10-19-8-12/h13-14H,1-10H2
InChIKeyOJDFAAXXBZSNLT-UHFFFAOYSA-N
MW278.30 g/mol
LogP-1.03
Rot. Bonds6

About [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol

[5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol (PubChem CID 71330777) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol
PubChem CID71330777
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name[5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol
SMILESOCC1(COCC2(CO)COCOC2)COCOC1
InChIInChI=1S/C12H22O7/c13-1-11(5-16-9-17-6-11)3-15-4-12(2-14)7-18-10-19-8-12/h13-14H,1-10H2
InChIKeyOJDFAAXXBZSNLT-UHFFFAOYSA-N
XLogP-1.03
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol (CID 71330777) is [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol is OCC1(COCC2(CO)COCOC2)COCOC1.
What is the InChIKey of [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol?
The InChIKey is OJDFAAXXBZSNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c13-1-11(5-16-9-17-6-11)3-15-4-12(2-14)7-18-10-19-8-12/h13-14H,1-10H2.
What are the key properties of [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol?
[5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol has a molecular weight of 278.30 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 71330777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).