(6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene

C15H26O — CID 21245429

IUPAC(6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene
SMILESC1=C\CCCCC2OC2CCCCCCC/1
InChIInChI=1S/C15H26O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h2,4,14-15H,1,3,5-13H2/b4-2-
InChIKeyXQTFORUXBIWGQF-RQOWECAXSA-N
MW222.37 g/mol
LogP4.61
Rot. Bonds

About (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene

(6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene (PubChem CID 21245429) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene.

Molecular Properties

Compound Name(6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene
PubChem CID21245429
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene
SMILESC1=C\CCCCC2OC2CCCCCCC/1
InChIInChI=1S/C15H26O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h2,4,14-15H,1,3,5-13H2/b4-2-
InChIKeyXQTFORUXBIWGQF-RQOWECAXSA-N
XLogP4.61
TPSA12.53 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 ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene?
The IUPAC name of (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene (CID 21245429) is (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene.
What is the SMILES notation for (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene?
The canonical SMILES for (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene is C1=C\CCCCC2OC2CCCCCCC/1.
What is the InChIKey of (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene?
The InChIKey is XQTFORUXBIWGQF-RQOWECAXSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-6-8-10-12-14-15(16-14)13-11-9-7-5-3-1/h2,4,14-15H,1,3,5-13H2/b4-2-.
What are the key properties of (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene?
(6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene has a molecular weight of 222.37 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-16-oxabicyclo[13.1.0]hexadec-6-ene is sourced from PubChem (CID 21245429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).