1-oxacyclohexadec-14-ene

C15H28O — CID 91141688

IUPAC1-oxacyclohexadec-14-ene
SMILESC1=CCOCCCCCCCCCCCC1
InChIInChI=1S/C15H28O/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h10,12H,1-9,11,13-15H2
InChIKeyVQRPWIZGYSIBQJ-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.86
Rot. Bonds

About 1-oxacyclohexadec-14-ene

1-oxacyclohexadec-14-ene (PubChem CID 91141688) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-oxacyclohexadec-14-ene.

Molecular Properties

Compound Name1-oxacyclohexadec-14-ene
PubChem CID91141688
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-oxacyclohexadec-14-ene
SMILESC1=CCOCCCCCCCCCCCC1
InChIInChI=1S/C15H28O/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h10,12H,1-9,11,13-15H2
InChIKeyVQRPWIZGYSIBQJ-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-oxacyclohexadec-14-ene?
The IUPAC name of 1-oxacyclohexadec-14-ene (CID 91141688) is 1-oxacyclohexadec-14-ene.
What is the SMILES notation for 1-oxacyclohexadec-14-ene?
The canonical SMILES for 1-oxacyclohexadec-14-ene is C1=CCOCCCCCCCCCCCC1.
What is the InChIKey of 1-oxacyclohexadec-14-ene?
The InChIKey is VQRPWIZGYSIBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h10,12H,1-9,11,13-15H2.
What are the key properties of 1-oxacyclohexadec-14-ene?
1-oxacyclohexadec-14-ene has a molecular weight of 224.39 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxacyclohexadec-14-ene is sourced from PubChem (CID 91141688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).