10-(oxan-2-yloxy)decane-2,8-dione

C15H26O4 — CID 70608611

IUPAC10-(oxan-2-yloxy)decane-2,8-dione
SMILESCC(=O)CCCCCC(=O)CCOC1CCCCO1
InChIInChI=1S/C15H26O4/c1-13(16)7-3-2-4-8-14(17)10-12-19-15-9-5-6-11-18-15/h15H,2-12H2,1H3
InChIKeyAZWMHPKWOOZDKO-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.03
Rot. Bonds10

About 10-(oxan-2-yloxy)decane-2,8-dione

10-(oxan-2-yloxy)decane-2,8-dione (PubChem CID 70608611) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 10-(oxan-2-yloxy)decane-2,8-dione.

Molecular Properties

Compound Name10-(oxan-2-yloxy)decane-2,8-dione
PubChem CID70608611
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name10-(oxan-2-yloxy)decane-2,8-dione
SMILESCC(=O)CCCCCC(=O)CCOC1CCCCO1
InChIInChI=1S/C15H26O4/c1-13(16)7-3-2-4-8-14(17)10-12-19-15-9-5-6-11-18-15/h15H,2-12H2,1H3
InChIKeyAZWMHPKWOOZDKO-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 10-(oxan-2-yloxy)decane-2,8-dione?
The IUPAC name of 10-(oxan-2-yloxy)decane-2,8-dione (CID 70608611) is 10-(oxan-2-yloxy)decane-2,8-dione.
What is the SMILES notation for 10-(oxan-2-yloxy)decane-2,8-dione?
The canonical SMILES for 10-(oxan-2-yloxy)decane-2,8-dione is CC(=O)CCCCCC(=O)CCOC1CCCCO1.
What is the InChIKey of 10-(oxan-2-yloxy)decane-2,8-dione?
The InChIKey is AZWMHPKWOOZDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-13(16)7-3-2-4-8-14(17)10-12-19-15-9-5-6-11-18-15/h15H,2-12H2,1H3.
What are the key properties of 10-(oxan-2-yloxy)decane-2,8-dione?
10-(oxan-2-yloxy)decane-2,8-dione has a molecular weight of 270.37 g/mol, XLogP of 3.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxan-2-yloxy)decane-2,8-dione is sourced from PubChem (CID 70608611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).