cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione

C17H30O4 — CID 56667025

IUPACcis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione
SMILESCO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)CCC1=O
InChIInChI=1S/C17H30O4/c1-14-10-8-6-4-3-5-7-9-11-16(20-2)15(18)12-13-17(19)21-14/h14,16H,3-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyGEKUXTCJYNJEIY-ZBFHGGJFSA-N
MW298.42 g/mol
LogP3.81
Rot. Bonds1

About cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione

cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione (PubChem CID 56667025) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione.

Molecular Properties

Compound Namecis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione
PubChem CID56667025
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Namecis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione
SMILESCO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)CCC1=O
InChIInChI=1S/C17H30O4/c1-14-10-8-6-4-3-5-7-9-11-16(20-2)15(18)12-13-17(19)21-14/h14,16H,3-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyGEKUXTCJYNJEIY-ZBFHGGJFSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione 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 cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione?
The IUPAC name of cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione (CID 56667025) is cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione.
What is the SMILES notation for cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione?
The canonical SMILES for cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione is CO[C@H]1CCCCCCCCC[C@@H](C)OC(=O)CCC1=O.
What is the InChIKey of cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione?
The InChIKey is GEKUXTCJYNJEIY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H30O4/c1-14-10-8-6-4-3-5-7-9-11-16(20-2)15(18)12-13-17(19)21-14/h14,16H,3-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione?
cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione has a molecular weight of 298.42 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(6S,16R)-6-methoxy-16-methyl-oxacyclohexadecane-2,5-dione is sourced from PubChem (CID 56667025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).