11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one

C16H26O2 — CID 138525449

IUPAC11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one
SMILESCCC1C(=O)CCCCC2CCCC23CCC1O3
InChIInChI=1S/C16H26O2/c1-2-13-14(17)8-4-3-6-12-7-5-10-16(12)11-9-15(13)18-16/h12-13,15H,2-11H2,1H3
InChIKeyVDUGEIIJMNJPSA-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.87
Rot. Bonds1

About 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one

11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one (PubChem CID 138525449) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one.

Molecular Properties

Compound Name11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one
PubChem CID138525449
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one
SMILESCCC1C(=O)CCCCC2CCCC23CCC1O3
InChIInChI=1S/C16H26O2/c1-2-13-14(17)8-4-3-6-12-7-5-10-16(12)11-9-15(13)18-16/h12-13,15H,2-11H2,1H3
InChIKeyVDUGEIIJMNJPSA-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one?
The IUPAC name of 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one (CID 138525449) is 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one.
What is the SMILES notation for 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one?
The canonical SMILES for 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one is CCC1C(=O)CCCCC2CCCC23CCC1O3.
What is the InChIKey of 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one?
The InChIKey is VDUGEIIJMNJPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-2-13-14(17)8-4-3-6-12-7-5-10-16(12)11-9-15(13)18-16/h12-13,15H,2-11H2,1H3.
What are the key properties of 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one?
11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one has a molecular weight of 250.38 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one is sourced from PubChem (CID 138525449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).