6-(oxan-2-yloxy)hexan-2-one

C11H20O3 — CID 11608111

IUPAC6-(oxan-2-yloxy)hexan-2-one
SMILESCC(=O)CCCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c1-10(12)6-2-4-8-13-11-7-3-5-9-14-11/h11H,2-9H2,1H3
InChIKeyCSKYWPCFYZTNKX-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.29
Rot. Bonds6

About 6-(oxan-2-yloxy)hexan-2-one

6-(oxan-2-yloxy)hexan-2-one (PubChem CID 11608111) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)hexan-2-one.

Molecular Properties

Compound Name6-(oxan-2-yloxy)hexan-2-one
PubChem CID11608111
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name6-(oxan-2-yloxy)hexan-2-one
SMILESCC(=O)CCCCOC1CCCCO1
InChIInChI=1S/C11H20O3/c1-10(12)6-2-4-8-13-11-7-3-5-9-14-11/h11H,2-9H2,1H3
InChIKeyCSKYWPCFYZTNKX-UHFFFAOYSA-N
XLogP2.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.29
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 6-(oxan-2-yloxy)hexan-2-one?
The IUPAC name of 6-(oxan-2-yloxy)hexan-2-one (CID 11608111) is 6-(oxan-2-yloxy)hexan-2-one.
What is the SMILES notation for 6-(oxan-2-yloxy)hexan-2-one?
The canonical SMILES for 6-(oxan-2-yloxy)hexan-2-one is CC(=O)CCCCOC1CCCCO1.
What is the InChIKey of 6-(oxan-2-yloxy)hexan-2-one?
The InChIKey is CSKYWPCFYZTNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-10(12)6-2-4-8-13-11-7-3-5-9-14-11/h11H,2-9H2,1H3.
What are the key properties of 6-(oxan-2-yloxy)hexan-2-one?
6-(oxan-2-yloxy)hexan-2-one has a molecular weight of 200.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)hexan-2-one is sourced from PubChem (CID 11608111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).