4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde

C6H10O4 — CID 174323449

IUPAC4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
SMILESO=CC1OCCC(CO)O1
InChIInChI=1S/C6H10O4/c7-3-5-1-2-9-6(4-8)10-5/h4-7H,1-3H2
InChIKeyMUULQVLEKLWOMB-UHFFFAOYSA-N
MW146.14 g/mol
LogP-0.69
Rot. Bonds2

About 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde

4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde (PubChem CID 174323449) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde.

Molecular Properties

Compound Name4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
PubChem CID174323449
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
SMILESO=CC1OCCC(CO)O1
InChIInChI=1S/C6H10O4/c7-3-5-1-2-9-6(4-8)10-5/h4-7H,1-3H2
InChIKeyMUULQVLEKLWOMB-UHFFFAOYSA-N
XLogP-0.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[7-[4-(hydroxymethyl)-1,3-dioxan-2-yl]heptyl]-1,3-dioxan-4-yl]methanol
CID 11302020
6-(hydroxymethyl)oxane-2-carbaldehyde
CID 154093777
[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 12886254
[(2R,4S)-4-nitrosooxan-2-yl]methanol
CID 129103650
[5-(nitrosomethyl)oxolan-2-yl]methanol
CID 129146326
[(2S,5R)-5-prop-2-enyloxolan-2-yl]methanol
CID 25138505
CID 135048089
CID 135048089
[(2R,5S)-5-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]oxolan-2-yl]methanol
CID 57325873
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
[5-(oxiran-2-yl)oxolan-2-yl]methanol
CID 123518659
(5R)-5-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174773838
4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
CID 174783735

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde?
The IUPAC name of 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde (CID 174323449) is 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde.
What is the SMILES notation for 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde?
The canonical SMILES for 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde is O=CC1OCCC(CO)O1.
What is the InChIKey of 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde?
The InChIKey is MUULQVLEKLWOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-5-1-2-9-6(4-8)10-5/h4-7H,1-3H2.
What are the key properties of 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde?
4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde has a molecular weight of 146.14 g/mol, XLogP of -0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde is sourced from PubChem (CID 174323449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).