14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene

C16H28O — CID 18961697

IUPAC14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
SMILESCC1C=C2CCCCCCCCCCC(C1)O2
InChIInChI=1S/C16H28O/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h12,14,16H,2-11,13H2,1H3
InChIKeyACENZISRUWHOSE-UHFFFAOYSA-N
MW236.40 g/mol
LogP5.21
Rot. Bonds

About 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene

14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene (PubChem CID 18961697) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene.

Molecular Properties

Compound Name14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
PubChem CID18961697
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene
SMILESCC1C=C2CCCCCCCCCCC(C1)O2
InChIInChI=1S/C16H28O/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h12,14,16H,2-11,13H2,1H3
InChIKeyACENZISRUWHOSE-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The IUPAC name of 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene (CID 18961697) is 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene.
What is the SMILES notation for 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The canonical SMILES for 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene is CC1C=C2CCCCCCCCCCC(C1)O2.
What is the InChIKey of 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
The InChIKey is ACENZISRUWHOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-14-12-15-10-8-6-4-2-3-5-7-9-11-16(13-14)17-15/h12,14,16H,2-11,13H2,1H3.
What are the key properties of 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene?
14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene has a molecular weight of 236.40 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-16-oxabicyclo[10.3.1]hexadec-1(15)-ene is sourced from PubChem (CID 18961697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).