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

C7H14O5 — CID 11971224

IUPAC[5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOCOCC1(CO)COCOC1
InChIInChI=1S/C7H14O5/c8-1-7(2-10-5-9)3-11-6-12-4-7/h8-9H,1-6H2
InChIKeyDKNIFLGCIMSZGQ-UHFFFAOYSA-N
MW178.18 g/mol
LogP-1.06
Rot. Bonds4

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

[5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol (PubChem CID 11971224) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol
PubChem CID11971224
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name[5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol
SMILESOCOCC1(CO)COCOC1
InChIInChI=1S/C7H14O5/c8-1-7(2-10-5-9)3-11-6-12-4-7/h8-9H,1-6H2
InChIKeyDKNIFLGCIMSZGQ-UHFFFAOYSA-N
XLogP-1.06
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol?
The IUPAC name of [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol (CID 11971224) is [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol.
What is the SMILES notation for [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol?
The canonical SMILES for [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol is OCOCC1(CO)COCOC1.
What is the InChIKey of [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol?
The InChIKey is DKNIFLGCIMSZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O5/c8-1-7(2-10-5-9)3-11-6-12-4-7/h8-9H,1-6H2.
What are the key properties of [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol?
[5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol has a molecular weight of 178.18 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(hydroxymethoxymethyl)-1,3-dioxan-5-yl]methanol is sourced from PubChem (CID 11971224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).