3-oxabicyclo[10.4.0]hexadec-1(12)-ene

C15H26O — CID 158806325

IUPAC3-oxabicyclo[10.4.0]hexadec-1(12)-ene
SMILESC1CCCCC2=C(CCCC2)COCCC1
InChIInChI=1S/C15H26O/c1-2-4-8-12-16-13-15-11-7-6-10-14(15)9-5-3-1/h1-13H2
InChIKeyIUCUDTJTTLNOAM-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.62
Rot. Bonds

About 3-oxabicyclo[10.4.0]hexadec-1(12)-ene

3-oxabicyclo[10.4.0]hexadec-1(12)-ene (PubChem CID 158806325) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3-oxabicyclo[10.4.0]hexadec-1(12)-ene.

Molecular Properties

Compound Name3-oxabicyclo[10.4.0]hexadec-1(12)-ene
PubChem CID158806325
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3-oxabicyclo[10.4.0]hexadec-1(12)-ene
SMILESC1CCCCC2=C(CCCC2)COCCC1
InChIInChI=1S/C15H26O/c1-2-4-8-12-16-13-15-11-7-6-10-14(15)9-5-3-1/h1-13H2
InChIKeyIUCUDTJTTLNOAM-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 3-oxabicyclo[10.4.0]hexadec-1(12)-ene?
The IUPAC name of 3-oxabicyclo[10.4.0]hexadec-1(12)-ene (CID 158806325) is 3-oxabicyclo[10.4.0]hexadec-1(12)-ene.
What is the SMILES notation for 3-oxabicyclo[10.4.0]hexadec-1(12)-ene?
The canonical SMILES for 3-oxabicyclo[10.4.0]hexadec-1(12)-ene is C1CCCCC2=C(CCCC2)COCCC1.
What is the InChIKey of 3-oxabicyclo[10.4.0]hexadec-1(12)-ene?
The InChIKey is IUCUDTJTTLNOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-8-12-16-13-15-11-7-6-10-14(15)9-5-3-1/h1-13H2.
What are the key properties of 3-oxabicyclo[10.4.0]hexadec-1(12)-ene?
3-oxabicyclo[10.4.0]hexadec-1(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 3-oxabicyclo[10.4.0]hexadec-1(12)-ene is sourced from PubChem (CID 158806325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).