4-(hydroxymethyl)-1,3-dioxan-5-ol

C5H10O4 — CID 14157568

IUPAC4-(hydroxymethyl)-1,3-dioxan-5-ol
SMILESOCC1OCOCC1O
InChIInChI=1S/C5H10O4/c6-1-5-4(7)2-8-3-9-5/h4-7H,1-3H2
InChIKeyVSHMUDKPBYKBPQ-UHFFFAOYSA-N
MW134.13 g/mol
LogP-1.29
Rot. Bonds1

About 4-(hydroxymethyl)-1,3-dioxan-5-ol

4-(hydroxymethyl)-1,3-dioxan-5-ol (PubChem CID 14157568) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-dioxan-5-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-dioxan-5-ol
PubChem CID14157568
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name4-(hydroxymethyl)-1,3-dioxan-5-ol
SMILESOCC1OCOCC1O
InChIInChI=1S/C5H10O4/c6-1-5-4(7)2-8-3-9-5/h4-7H,1-3H2
InChIKeyVSHMUDKPBYKBPQ-UHFFFAOYSA-N
XLogP-1.29
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-dioxan-5-ol?
The IUPAC name of 4-(hydroxymethyl)-1,3-dioxan-5-ol (CID 14157568) is 4-(hydroxymethyl)-1,3-dioxan-5-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-dioxan-5-ol?
The canonical SMILES for 4-(hydroxymethyl)-1,3-dioxan-5-ol is OCC1OCOCC1O.
What is the InChIKey of 4-(hydroxymethyl)-1,3-dioxan-5-ol?
The InChIKey is VSHMUDKPBYKBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c6-1-5-4(7)2-8-3-9-5/h4-7H,1-3H2.
What are the key properties of 4-(hydroxymethyl)-1,3-dioxan-5-ol?
4-(hydroxymethyl)-1,3-dioxan-5-ol has a molecular weight of 134.13 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-dioxan-5-ol is sourced from PubChem (CID 14157568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).