(1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one

C17H26O2 — CID 10244466

IUPAC(1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one
SMILESCC1=C/C2=C\CCCCCCCCCCC2OC1=O
InChIInChI=1S/C17H26O2/c1-14-13-15-11-9-7-5-3-2-4-6-8-10-12-16(15)19-17(14)18/h11,13,16H,2-10,12H2,1H3/b15-11+
InChIKeyZHZLEJKHPAYHSU-RVDMUPIBSA-N
MW262.39 g/mol
LogP4.70
Rot. Bonds

About (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one

(1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one (PubChem CID 10244466) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one.

Molecular Properties

Compound Name(1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one
PubChem CID10244466
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one
SMILESCC1=C/C2=C\CCCCCCCCCCC2OC1=O
InChIInChI=1S/C17H26O2/c1-14-13-15-11-9-7-5-3-2-4-6-8-10-12-16(15)19-17(14)18/h11,13,16H,2-10,12H2,1H3/b15-11+
InChIKeyZHZLEJKHPAYHSU-RVDMUPIBSA-N
XLogP4.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one?
The IUPAC name of (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one (CID 10244466) is (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one.
What is the SMILES notation for (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one?
The canonical SMILES for (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one is CC1=C/C2=C\CCCCCCCCCCC2OC1=O.
What is the InChIKey of (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one?
The InChIKey is ZHZLEJKHPAYHSU-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H26O2/c1-14-13-15-11-9-7-5-3-2-4-6-8-10-12-16(15)19-17(14)18/h11,13,16H,2-10,12H2,1H3/b15-11+.
What are the key properties of (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one?
(1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one has a molecular weight of 262.39 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-16-methyl-14-oxabicyclo[11.4.0]heptadeca-1,16-dien-15-one is sourced from PubChem (CID 10244466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).