16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene

C17H30O — CID 18942869

IUPAC16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene
SMILESCC1CCOC2=C(CCCCCCCCCC2)C1
InChIInChI=1S/C17H30O/c1-15-12-13-18-17-11-9-7-5-3-2-4-6-8-10-16(17)14-15/h15H,2-14H2,1H3
InChIKeyVUAFYHHXDFWYJM-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.60
Rot. Bonds

About 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene

16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene (PubChem CID 18942869) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene.

Molecular Properties

Compound Name16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene
PubChem CID18942869
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene
SMILESCC1CCOC2=C(CCCCCCCCCC2)C1
InChIInChI=1S/C17H30O/c1-15-12-13-18-17-11-9-7-5-3-2-4-6-8-10-16(17)14-15/h15H,2-14H2,1H3
InChIKeyVUAFYHHXDFWYJM-UHFFFAOYSA-N
XLogP5.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene?
The IUPAC name of 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene (CID 18942869) is 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene.
What is the SMILES notation for 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene?
The canonical SMILES for 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene is CC1CCOC2=C(CCCCCCCCCC2)C1.
What is the InChIKey of 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene?
The InChIKey is VUAFYHHXDFWYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-15-12-13-18-17-11-9-7-5-3-2-4-6-8-10-16(17)14-15/h15H,2-14H2,1H3.
What are the key properties of 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene?
16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene has a molecular weight of 250.43 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-13-oxabicyclo[10.5.0]heptadec-1(12)-ene is sourced from PubChem (CID 18942869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).