5-(oxan-2-yloxy)pentanal

C10H18O3 — CID 558897

IUPAC5-(oxan-2-yloxy)pentanal
SMILESO=CCCCCOC1CCCCO1
InChIInChI=1S/C10H18O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h7,10H,1-6,8-9H2
InChIKeyCSMUJKWNNDUBDH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.90
Rot. Bonds6

About 5-(oxan-2-yloxy)pentanal

5-(oxan-2-yloxy)pentanal (PubChem CID 558897) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-(oxan-2-yloxy)pentanal.

Molecular Properties

Compound Name5-(oxan-2-yloxy)pentanal
PubChem CID558897
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-(oxan-2-yloxy)pentanal
SMILESO=CCCCCOC1CCCCO1
InChIInChI=1S/C10H18O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h7,10H,1-6,8-9H2
InChIKeyCSMUJKWNNDUBDH-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.90
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 5-(oxan-2-yloxy)pentanal?
The IUPAC name of 5-(oxan-2-yloxy)pentanal (CID 558897) is 5-(oxan-2-yloxy)pentanal.
What is the SMILES notation for 5-(oxan-2-yloxy)pentanal?
The canonical SMILES for 5-(oxan-2-yloxy)pentanal is O=CCCCCOC1CCCCO1.
What is the InChIKey of 5-(oxan-2-yloxy)pentanal?
The InChIKey is CSMUJKWNNDUBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-7-3-1-4-8-12-10-6-2-5-9-13-10/h7,10H,1-6,8-9H2.
What are the key properties of 5-(oxan-2-yloxy)pentanal?
5-(oxan-2-yloxy)pentanal has a molecular weight of 186.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yloxy)pentanal is sourced from PubChem (CID 558897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).