4-(oxan-2-yloxy)decan-2-one

C15H28O3 — CID 10956192

IUPAC4-(oxan-2-yloxy)decan-2-one
SMILESCCCCCCC(CC(C)=O)OC1CCCCO1
InChIInChI=1S/C15H28O3/c1-3-4-5-6-9-14(12-13(2)16)18-15-10-7-8-11-17-15/h14-15H,3-12H2,1-2H3
InChIKeyRZYMQYCLYMFLPJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.85
Rot. Bonds9

About 4-(oxan-2-yloxy)decan-2-one

4-(oxan-2-yloxy)decan-2-one (PubChem CID 10956192) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-(oxan-2-yloxy)decan-2-one.

Molecular Properties

Compound Name4-(oxan-2-yloxy)decan-2-one
PubChem CID10956192
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name4-(oxan-2-yloxy)decan-2-one
SMILESCCCCCCC(CC(C)=O)OC1CCCCO1
InChIInChI=1S/C15H28O3/c1-3-4-5-6-9-14(12-13(2)16)18-15-10-7-8-11-17-15/h14-15H,3-12H2,1-2H3
InChIKeyRZYMQYCLYMFLPJ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.85
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 4-(oxan-2-yloxy)decan-2-one?
The IUPAC name of 4-(oxan-2-yloxy)decan-2-one (CID 10956192) is 4-(oxan-2-yloxy)decan-2-one.
What is the SMILES notation for 4-(oxan-2-yloxy)decan-2-one?
The canonical SMILES for 4-(oxan-2-yloxy)decan-2-one is CCCCCCC(CC(C)=O)OC1CCCCO1.
What is the InChIKey of 4-(oxan-2-yloxy)decan-2-one?
The InChIKey is RZYMQYCLYMFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-3-4-5-6-9-14(12-13(2)16)18-15-10-7-8-11-17-15/h14-15H,3-12H2,1-2H3.
What are the key properties of 4-(oxan-2-yloxy)decan-2-one?
4-(oxan-2-yloxy)decan-2-one has a molecular weight of 256.39 g/mol, XLogP of 3.85, 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)decan-2-one is sourced from PubChem (CID 10956192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).