2-oxabicyclo[10.3.1]hexadec-12-ene

C15H26O — CID 118238765

IUPAC2-oxabicyclo[10.3.1]hexadec-12-ene
SMILESC1=C2CCCCCCCCCOC(CC1)C2
InChIInChI=1S/C15H26O/c1-2-4-6-9-14-10-8-11-15(13-14)16-12-7-5-3-1/h10,15H,1-9,11-13H2
InChIKeyRWSAKYLZTGOGKR-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.62
Rot. Bonds

About 2-oxabicyclo[10.3.1]hexadec-12-ene

2-oxabicyclo[10.3.1]hexadec-12-ene (PubChem CID 118238765) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-oxabicyclo[10.3.1]hexadec-12-ene.

Molecular Properties

Compound Name2-oxabicyclo[10.3.1]hexadec-12-ene
PubChem CID118238765
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-oxabicyclo[10.3.1]hexadec-12-ene
SMILESC1=C2CCCCCCCCCOC(CC1)C2
InChIInChI=1S/C15H26O/c1-2-4-6-9-14-10-8-11-15(13-14)16-12-7-5-3-1/h10,15H,1-9,11-13H2
InChIKeyRWSAKYLZTGOGKR-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
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 2-oxabicyclo[10.3.1]hexadec-12-ene?
The IUPAC name of 2-oxabicyclo[10.3.1]hexadec-12-ene (CID 118238765) is 2-oxabicyclo[10.3.1]hexadec-12-ene.
What is the SMILES notation for 2-oxabicyclo[10.3.1]hexadec-12-ene?
The canonical SMILES for 2-oxabicyclo[10.3.1]hexadec-12-ene is C1=C2CCCCCCCCCOC(CC1)C2.
What is the InChIKey of 2-oxabicyclo[10.3.1]hexadec-12-ene?
The InChIKey is RWSAKYLZTGOGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-6-9-14-10-8-11-15(13-14)16-12-7-5-3-1/h10,15H,1-9,11-13H2.
What are the key properties of 2-oxabicyclo[10.3.1]hexadec-12-ene?
2-oxabicyclo[10.3.1]hexadec-12-ene has a molecular weight of 222.37 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[10.3.1]hexadec-12-ene is sourced from PubChem (CID 118238765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).