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

C15H26O — CID 67015061

IUPAC2-oxabicyclo[10.4.0]hexadec-1(12)-ene
SMILESC1CCCCOC2=C(CCCC1)CCCC2
InChIInChI=1S/C15H26O/c1-2-4-6-10-14-11-7-8-12-15(14)16-13-9-5-3-1/h1-13H2
InChIKeyLQSHHQUFJDBCJT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.97
Rot. Bonds

About 2-oxabicyclo[10.4.0]hexadec-1(12)-ene

2-oxabicyclo[10.4.0]hexadec-1(12)-ene (PubChem CID 67015061) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-oxabicyclo[10.4.0]hexadec-1(12)-ene.

Molecular Properties

Compound Name2-oxabicyclo[10.4.0]hexadec-1(12)-ene
PubChem CID67015061
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-oxabicyclo[10.4.0]hexadec-1(12)-ene
SMILESC1CCCCOC2=C(CCCC1)CCCC2
InChIInChI=1S/C15H26O/c1-2-4-6-10-14-11-7-8-12-15(14)16-13-9-5-3-1/h1-13H2
InChIKeyLQSHHQUFJDBCJT-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[10.4.0]hexadec-1(12)-ene?
The IUPAC name of 2-oxabicyclo[10.4.0]hexadec-1(12)-ene (CID 67015061) is 2-oxabicyclo[10.4.0]hexadec-1(12)-ene.
What is the SMILES notation for 2-oxabicyclo[10.4.0]hexadec-1(12)-ene?
The canonical SMILES for 2-oxabicyclo[10.4.0]hexadec-1(12)-ene is C1CCCCOC2=C(CCCC1)CCCC2.
What is the InChIKey of 2-oxabicyclo[10.4.0]hexadec-1(12)-ene?
The InChIKey is LQSHHQUFJDBCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-4-6-10-14-11-7-8-12-15(14)16-13-9-5-3-1/h1-13H2.
What are the key properties of 2-oxabicyclo[10.4.0]hexadec-1(12)-ene?
2-oxabicyclo[10.4.0]hexadec-1(12)-ene has a molecular weight of 222.37 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[10.4.0]hexadec-1(12)-ene is sourced from PubChem (CID 67015061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).