(14E)-1,5-dioxacyclohexadec-14-en-3-one

C14H24O3 — CID 176631815

IUPAC(14E)-1,5-dioxacyclohexadec-14-en-3-one
SMILESO=C1COC/C=C/CCCCCCCCOC1
InChIInChI=1S/C14H24O3/c15-14-12-16-10-8-6-4-2-1-3-5-7-9-11-17-13-14/h6,8H,1-5,7,9-13H2/b8-6+
InChIKeyOIOFWCFQVSGHIW-SOFGYWHQSA-N
MW240.34 g/mol
LogP2.89
Rot. Bonds

About (14E)-1,5-dioxacyclohexadec-14-en-3-one

(14E)-1,5-dioxacyclohexadec-14-en-3-one (PubChem CID 176631815) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (14E)-1,5-dioxacyclohexadec-14-en-3-one.

Molecular Properties

Compound Name(14E)-1,5-dioxacyclohexadec-14-en-3-one
PubChem CID176631815
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(14E)-1,5-dioxacyclohexadec-14-en-3-one
SMILESO=C1COC/C=C/CCCCCCCCOC1
InChIInChI=1S/C14H24O3/c15-14-12-16-10-8-6-4-2-1-3-5-7-9-11-17-13-14/h6,8H,1-5,7,9-13H2/b8-6+
InChIKeyOIOFWCFQVSGHIW-SOFGYWHQSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7E)-1-oxacyclohexadec-7-en-3-one
CID 10705115
1-oxacyclohexadeca-7,14-diene
CID 69016364
1-oxacyclohexadec-14-ene
CID 91141688
(18E)-1-oxacycloicos-18-ene
CID 21321167
(8E)-1-oxacyclopentadec-8-ene
CID 21222299
1-oxacyclotricos-18-ene
CID 57206831
cyclohexene;oxane
CID 158692863
1,6-dioxacyclononadec-3-ene
CID 150023417
(13Z)-1,4-dioxacyclopentadec-13-ene-2,3-dione
CID 100934797
cyclobutane;cycloheptane;bis(cyclohexane);cyclopentane;cyclopentene;cyclopropane;oxane
CID 158750848
(3Z,16E)-1,6-dioxacyclohexacosa-3,16-diene-2,5-dione
CID 102085318
oxacycloundecan-3-one
CID 150542000

Frequently Asked Questions

What is the IUPAC name of (14E)-1,5-dioxacyclohexadec-14-en-3-one?
The IUPAC name of (14E)-1,5-dioxacyclohexadec-14-en-3-one (CID 176631815) is (14E)-1,5-dioxacyclohexadec-14-en-3-one.
What is the SMILES notation for (14E)-1,5-dioxacyclohexadec-14-en-3-one?
The canonical SMILES for (14E)-1,5-dioxacyclohexadec-14-en-3-one is O=C1COC/C=C/CCCCCCCCOC1.
What is the InChIKey of (14E)-1,5-dioxacyclohexadec-14-en-3-one?
The InChIKey is OIOFWCFQVSGHIW-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H24O3/c15-14-12-16-10-8-6-4-2-1-3-5-7-9-11-17-13-14/h6,8H,1-5,7,9-13H2/b8-6+.
What are the key properties of (14E)-1,5-dioxacyclohexadec-14-en-3-one?
(14E)-1,5-dioxacyclohexadec-14-en-3-one has a molecular weight of 240.34 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14E)-1,5-dioxacyclohexadec-14-en-3-one is sourced from PubChem (CID 176631815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).