4-(oxan-2-yloxy)nonanal

C14H26O3 — CID 21401684

IUPAC4-(oxan-2-yloxy)nonanal
SMILESCCCCCC(CCC=O)OC1CCCCO1
InChIInChI=1S/C14H26O3/c1-2-3-4-8-13(9-7-11-15)17-14-10-5-6-12-16-14/h11,13-14H,2-10,12H2,1H3
InChIKeyKPVHBHPGROIXMX-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.46
Rot. Bonds9

About 4-(oxan-2-yloxy)nonanal

4-(oxan-2-yloxy)nonanal (PubChem CID 21401684) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)nonanal.

Molecular Properties

Compound Name4-(oxan-2-yloxy)nonanal
PubChem CID21401684
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-(oxan-2-yloxy)nonanal
SMILESCCCCCC(CCC=O)OC1CCCCO1
InChIInChI=1S/C14H26O3/c1-2-3-4-8-13(9-7-11-15)17-14-10-5-6-12-16-14/h11,13-14H,2-10,12H2,1H3
InChIKeyKPVHBHPGROIXMX-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yloxy)nonanal?
The IUPAC name of 4-(oxan-2-yloxy)nonanal (CID 21401684) is 4-(oxan-2-yloxy)nonanal.
What is the SMILES notation for 4-(oxan-2-yloxy)nonanal?
The canonical SMILES for 4-(oxan-2-yloxy)nonanal is CCCCCC(CCC=O)OC1CCCCO1.
What is the InChIKey of 4-(oxan-2-yloxy)nonanal?
The InChIKey is KPVHBHPGROIXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-8-13(9-7-11-15)17-14-10-5-6-12-16-14/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 4-(oxan-2-yloxy)nonanal?
4-(oxan-2-yloxy)nonanal has a molecular weight of 242.36 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yloxy)nonanal is sourced from PubChem (CID 21401684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).