1-oxacyclohexadeca-7,14-diene

C15H26O — CID 69016364

IUPAC1-oxacyclohexadeca-7,14-diene
SMILESC1=CCCCCCOCC=CCCCCC1
InChIInChI=1S/C15H26O/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h2,4,11,13H,1,3,5-10,12,14-15H2
InChIKeySQXRGGLNYUACLS-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.64
Rot. Bonds

About 1-oxacyclohexadeca-7,14-diene

1-oxacyclohexadeca-7,14-diene (PubChem CID 69016364) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-oxacyclohexadeca-7,14-diene.

Molecular Properties

Compound Name1-oxacyclohexadeca-7,14-diene
PubChem CID69016364
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-oxacyclohexadeca-7,14-diene
SMILESC1=CCCCCCOCC=CCCCCC1
InChIInChI=1S/C15H26O/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h2,4,11,13H,1,3,5-10,12,14-15H2
InChIKeySQXRGGLNYUACLS-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-oxacyclohexadec-14-ene
CID 91141688
(18E)-1-oxacycloicos-18-ene
CID 21321167
1,6-dioxacyclononadec-3-ene
CID 150023417
(8E)-1-oxacyclopentadec-8-ene
CID 21222299
1-oxacyclotricos-18-ene
CID 57206831
cyclohexene;oxane
CID 158692863
(14E)-1,5-dioxacyclohexadec-14-en-3-one
CID 176631815
cyclobutane;cycloheptane;bis(cyclohexane);cyclopentane;cyclopentene;cyclopropane;oxane
CID 158750848
(1E)-cyclooctadeca-1,8-diene
CID 173129359
(1E,8E)-cyclotetradeca-1,8-diene
CID 638080
(7Z)-cyclohexadeca-1,7-diene
CID 173129118
cyclopentadeca-1,7-diene
CID 154173092

Frequently Asked Questions

What is the IUPAC name of 1-oxacyclohexadeca-7,14-diene?
The IUPAC name of 1-oxacyclohexadeca-7,14-diene (CID 69016364) is 1-oxacyclohexadeca-7,14-diene.
What is the SMILES notation for 1-oxacyclohexadeca-7,14-diene?
The canonical SMILES for 1-oxacyclohexadeca-7,14-diene is C1=CCCCCCOCC=CCCCCC1.
What is the InChIKey of 1-oxacyclohexadeca-7,14-diene?
The InChIKey is SQXRGGLNYUACLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h2,4,11,13H,1,3,5-10,12,14-15H2.
What are the key properties of 1-oxacyclohexadeca-7,14-diene?
1-oxacyclohexadeca-7,14-diene has a molecular weight of 222.37 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclohexadeca-7,14-diene is sourced from PubChem (CID 69016364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).