1,3-dioxane;formaldehyde

C5H10O3 — CID 143804327

IUPAC1,3-dioxane;formaldehyde
SMILESC1COCOC1.C=O
InChIInChI=1S/C4H8O2.CH2O/c1-2-5-4-6-3-1;1-2/h1-4H2;1H2
InChIKeyACSGPICRUGMHPM-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.20
Rot. Bonds

About 1,3-dioxane;formaldehyde

1,3-dioxane;formaldehyde (PubChem CID 143804327) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1,3-dioxane;formaldehyde.

Molecular Properties

Compound Name1,3-dioxane;formaldehyde
PubChem CID143804327
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1,3-dioxane;formaldehyde
SMILESC1COCOC1.C=O
InChIInChI=1S/C4H8O2.CH2O/c1-2-5-4-6-3-1;1-2/h1-4H2;1H2
InChIKeyACSGPICRUGMHPM-UHFFFAOYSA-N
XLogP0.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 172810218
cyclopentane;1,3-dioxane;ethane
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1,3-dioxacycloheptadecane
CID 54126867
formaldehyde;oxolane
CID 174849713
1,3-dioxolane;oxolane
CID 23437621
formaldehyde;hydron;1,3,5-trioxane
CID 159664170
cyclohexanone;1,3-dioxane
CID 158971255
1,3,6-trioxacyclohexadecane
CID 139860202
1,3,6,8-tetraoxecane
CID 19993864
acetyl acetate;1,3-dioxane
CID 174949221
1,3-dioxane;1,3,7,9-tetraoxacyclododecane-5,11-diol
CID 158149113
1,3-dioxane;2-methyl-1,3-dioxane
CID 160690927

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxane;formaldehyde?
The IUPAC name of 1,3-dioxane;formaldehyde (CID 143804327) is 1,3-dioxane;formaldehyde.
What is the SMILES notation for 1,3-dioxane;formaldehyde?
The canonical SMILES for 1,3-dioxane;formaldehyde is C1COCOC1.C=O.
What is the InChIKey of 1,3-dioxane;formaldehyde?
The InChIKey is ACSGPICRUGMHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH2O/c1-2-5-4-6-3-1;1-2/h1-4H2;1H2.
What are the key properties of 1,3-dioxane;formaldehyde?
1,3-dioxane;formaldehyde has a molecular weight of 118.13 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxane;formaldehyde is sourced from PubChem (CID 143804327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).