9-(oxan-2-yloxy)nonan-2-one

C14H26O3 — CID 538289

IUPAC9-(oxan-2-yloxy)nonan-2-one
SMILESCC(=O)CCCCCCCOC1CCCCO1
InChIInChI=1S/C14H26O3/c1-13(15)9-5-3-2-4-7-11-16-14-10-6-8-12-17-14/h14H,2-12H2,1H3
InChIKeyYGTCAJNTFSQPSS-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.46
Rot. Bonds9

About 9-(oxan-2-yloxy)nonan-2-one

9-(oxan-2-yloxy)nonan-2-one (PubChem CID 538289) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 9-(oxan-2-yloxy)nonan-2-one.

Molecular Properties

Compound Name9-(oxan-2-yloxy)nonan-2-one
PubChem CID538289
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name9-(oxan-2-yloxy)nonan-2-one
SMILESCC(=O)CCCCCCCOC1CCCCO1
InChIInChI=1S/C14H26O3/c1-13(15)9-5-3-2-4-7-11-16-14-10-6-8-12-17-14/h14H,2-12H2,1H3
InChIKeyYGTCAJNTFSQPSS-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(oxan-2-yloxy)nonan-2-one?
The IUPAC name of 9-(oxan-2-yloxy)nonan-2-one (CID 538289) is 9-(oxan-2-yloxy)nonan-2-one.
What is the SMILES notation for 9-(oxan-2-yloxy)nonan-2-one?
The canonical SMILES for 9-(oxan-2-yloxy)nonan-2-one is CC(=O)CCCCCCCOC1CCCCO1.
What is the InChIKey of 9-(oxan-2-yloxy)nonan-2-one?
The InChIKey is YGTCAJNTFSQPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-13(15)9-5-3-2-4-7-11-16-14-10-6-8-12-17-14/h14H,2-12H2,1H3.
What are the key properties of 9-(oxan-2-yloxy)nonan-2-one?
9-(oxan-2-yloxy)nonan-2-one 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 9-(oxan-2-yloxy)nonan-2-one is sourced from PubChem (CID 538289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).