9-(oxan-2-yloxy)nonanal

C14H26O3 — CID 10083105

IUPAC9-(oxan-2-yloxy)nonanal
SMILESO=CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H26O3/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h11,14H,1-10,12-13H2
InChIKeyRZHOWKFZQAEKJK-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.46
Rot. Bonds10

About 9-(oxan-2-yloxy)nonanal

9-(oxan-2-yloxy)nonanal (PubChem CID 10083105) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 9-(oxan-2-yloxy)nonanal.

Molecular Properties

Compound Name9-(oxan-2-yloxy)nonanal
PubChem CID10083105
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name9-(oxan-2-yloxy)nonanal
SMILESO=CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C14H26O3/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h11,14H,1-10,12-13H2
InChIKeyRZHOWKFZQAEKJK-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
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 9-(oxan-2-yloxy)nonanal?
The IUPAC name of 9-(oxan-2-yloxy)nonanal (CID 10083105) is 9-(oxan-2-yloxy)nonanal.
What is the SMILES notation for 9-(oxan-2-yloxy)nonanal?
The canonical SMILES for 9-(oxan-2-yloxy)nonanal is O=CCCCCCCCCOC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yloxy)nonanal?
The InChIKey is RZHOWKFZQAEKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h11,14H,1-10,12-13H2.
What are the key properties of 9-(oxan-2-yloxy)nonanal?
9-(oxan-2-yloxy)nonanal has a molecular weight of 242.36 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-2-yloxy)nonanal is sourced from PubChem (CID 10083105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).