1,6-dioxacyclohexadec-3-en-7-one

C14H24O3 — CID 154226250

IUPAC1,6-dioxacyclohexadec-3-en-7-one
SMILESO=C1CCCCCCCCCOCC=CCO1
InChIInChI=1S/C14H24O3/c15-14-10-6-4-2-1-3-5-7-11-16-12-8-9-13-17-14/h8-9H,1-7,10-13H2
InChIKeyMQKJGAIYYGBUDK-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.24
Rot. Bonds

About 1,6-dioxacyclohexadec-3-en-7-one

1,6-dioxacyclohexadec-3-en-7-one (PubChem CID 154226250) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1,6-dioxacyclohexadec-3-en-7-one.

Molecular Properties

Compound Name1,6-dioxacyclohexadec-3-en-7-one
PubChem CID154226250
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1,6-dioxacyclohexadec-3-en-7-one
SMILESO=C1CCCCCCCCCOCC=CCO1
InChIInChI=1S/C14H24O3/c15-14-10-6-4-2-1-3-5-7-11-16-12-8-9-13-17-14/h8-9H,1-7,10-13H2
InChIKeyMQKJGAIYYGBUDK-UHFFFAOYSA-N
XLogP3.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dioxacyclohexadec-3-en-7-one?
The IUPAC name of 1,6-dioxacyclohexadec-3-en-7-one (CID 154226250) is 1,6-dioxacyclohexadec-3-en-7-one.
What is the SMILES notation for 1,6-dioxacyclohexadec-3-en-7-one?
The canonical SMILES for 1,6-dioxacyclohexadec-3-en-7-one is O=C1CCCCCCCCCOCC=CCO1.
What is the InChIKey of 1,6-dioxacyclohexadec-3-en-7-one?
The InChIKey is MQKJGAIYYGBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c15-14-10-6-4-2-1-3-5-7-11-16-12-8-9-13-17-14/h8-9H,1-7,10-13H2.
What are the key properties of 1,6-dioxacyclohexadec-3-en-7-one?
1,6-dioxacyclohexadec-3-en-7-one has a molecular weight of 240.34 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxacyclohexadec-3-en-7-one is sourced from PubChem (CID 154226250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).