3-(1,3-dioxan-2-yloxy)propanal

C7H12O4 — CID 23266269

IUPAC3-(1,3-dioxan-2-yloxy)propanal
SMILESO=CCCOC1OCCCO1
InChIInChI=1S/C7H12O4/c8-3-1-4-9-7-10-5-2-6-11-7/h3,7H,1-2,4-6H2
InChIKeyPWXDFEUGSZXNCY-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.31
Rot. Bonds4

About 3-(1,3-dioxan-2-yloxy)propanal

3-(1,3-dioxan-2-yloxy)propanal (PubChem CID 23266269) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-(1,3-dioxan-2-yloxy)propanal.

Molecular Properties

Compound Name3-(1,3-dioxan-2-yloxy)propanal
PubChem CID23266269
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-(1,3-dioxan-2-yloxy)propanal
SMILESO=CCCOC1OCCCO1
InChIInChI=1S/C7H12O4/c8-3-1-4-9-7-10-5-2-6-11-7/h3,7H,1-2,4-6H2
InChIKeyPWXDFEUGSZXNCY-UHFFFAOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(oxan-2-yloxymethoxy)propanal
CID 134987354
2-butoxy-1,3-dioxane
CID 13152295
3-(oxan-2-ylsilyloxy)propanal
CID 173402060
3,3-bis(1,3-dioxan-2-yloxy)propanal
CID 141053260
3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propanal
CID 170789199
3-(3,5-dimethylcyclohexyl)oxypropanal
CID 64729407
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
4-(1,3-dioxolan-2-yloxy)butan-1-ol
CID 23298944
3-(1-methylpiperidin-4-yl)oxypropanal
CID 87150334
(3S)-3-methyl-6-(oxolan-2-yloxy)hexanal
CID 18601301
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 129055846
[4-(1,3-dioxan-2-yloxy)but-1-ynyl-phenyl-λ3-iodanyl] trifluoromethanesulfonate
CID 134878268

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-2-yloxy)propanal?
The IUPAC name of 3-(1,3-dioxan-2-yloxy)propanal (CID 23266269) is 3-(1,3-dioxan-2-yloxy)propanal.
What is the SMILES notation for 3-(1,3-dioxan-2-yloxy)propanal?
The canonical SMILES for 3-(1,3-dioxan-2-yloxy)propanal is O=CCCOC1OCCCO1.
What is the InChIKey of 3-(1,3-dioxan-2-yloxy)propanal?
The InChIKey is PWXDFEUGSZXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c8-3-1-4-9-7-10-5-2-6-11-7/h3,7H,1-2,4-6H2.
What are the key properties of 3-(1,3-dioxan-2-yloxy)propanal?
3-(1,3-dioxan-2-yloxy)propanal has a molecular weight of 160.17 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-2-yloxy)propanal is sourced from PubChem (CID 23266269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).