3-(oxan-2-yloxymethoxy)propanal

C9H16O4 — CID 134987354

IUPAC3-(oxan-2-yloxymethoxy)propanal
SMILESO=CCCOCOC1CCCCO1
InChIInChI=1S/C9H16O4/c10-5-3-6-11-8-13-9-4-1-2-7-12-9/h5,9H,1-4,6-8H2
InChIKeyOIOPISQKLKRMCQ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.09
Rot. Bonds6

About 3-(oxan-2-yloxymethoxy)propanal

3-(oxan-2-yloxymethoxy)propanal (PubChem CID 134987354) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethoxy)propanal.

Molecular Properties

Compound Name3-(oxan-2-yloxymethoxy)propanal
PubChem CID134987354
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name3-(oxan-2-yloxymethoxy)propanal
SMILESO=CCCOCOC1CCCCO1
InChIInChI=1S/C9H16O4/c10-5-3-6-11-8-13-9-4-1-2-7-12-9/h5,9H,1-4,6-8H2
InChIKeyOIOPISQKLKRMCQ-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.09
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
3-(1,3-dioxan-2-yloxy)propanal
CID 23266269
7-(oxan-2-yloxy)hept-2-enal
CID 54196488
(3R)-3-methyl-12-(oxan-2-yloxy)dodecanal
CID 10469994
(E)-5-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]pent-2-enoic acid
CID 139578710
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
(2S)-2-pent-4-enoxyoxane
CID 58779863
2-[(Z)-4-iodobut-3-enoxy]oxane
CID 10423866
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
4-[2-[(2S)-oxan-2-yl]oxyethyl]benzaldehyde
CID 86333516
2-(18-iodooctadecoxy)oxane
CID 86124950

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethoxy)propanal?
The IUPAC name of 3-(oxan-2-yloxymethoxy)propanal (CID 134987354) is 3-(oxan-2-yloxymethoxy)propanal.
What is the SMILES notation for 3-(oxan-2-yloxymethoxy)propanal?
The canonical SMILES for 3-(oxan-2-yloxymethoxy)propanal is O=CCCOCOC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxymethoxy)propanal?
The InChIKey is OIOPISQKLKRMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-5-3-6-11-8-13-9-4-1-2-7-12-9/h5,9H,1-4,6-8H2.
What are the key properties of 3-(oxan-2-yloxymethoxy)propanal?
3-(oxan-2-yloxymethoxy)propanal has a molecular weight of 188.22 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethoxy)propanal is sourced from PubChem (CID 134987354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).