6-methyl-1,4-dioxacycloheptadecane-5,17-dione

C16H28O4 — CID 19702284

IUPAC6-methyl-1,4-dioxacycloheptadecane-5,17-dione
SMILESCC1CCCCCCCCCCC(=O)OCCOC1=O
InChIInChI=1S/C16H28O4/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)19-12-13-20-16(14)18/h14H,2-13H2,1H3
InChIKeyTVRMCBYUTDCMIY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.62
Rot. Bonds

About 6-methyl-1,4-dioxacycloheptadecane-5,17-dione

6-methyl-1,4-dioxacycloheptadecane-5,17-dione (PubChem CID 19702284) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-methyl-1,4-dioxacycloheptadecane-5,17-dione.

Molecular Properties

Compound Name6-methyl-1,4-dioxacycloheptadecane-5,17-dione
PubChem CID19702284
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name6-methyl-1,4-dioxacycloheptadecane-5,17-dione
SMILESCC1CCCCCCCCCCC(=O)OCCOC1=O
InChIInChI=1S/C16H28O4/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)19-12-13-20-16(14)18/h14H,2-13H2,1H3
InChIKeyTVRMCBYUTDCMIY-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-1,4-dioxacycloheptadecane-5,17-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 6-methyl-1,4-dioxacycloheptadecane-5,17-dione?
The IUPAC name of 6-methyl-1,4-dioxacycloheptadecane-5,17-dione (CID 19702284) is 6-methyl-1,4-dioxacycloheptadecane-5,17-dione.
What is the SMILES notation for 6-methyl-1,4-dioxacycloheptadecane-5,17-dione?
The canonical SMILES for 6-methyl-1,4-dioxacycloheptadecane-5,17-dione is CC1CCCCCCCCCCC(=O)OCCOC1=O.
What is the InChIKey of 6-methyl-1,4-dioxacycloheptadecane-5,17-dione?
The InChIKey is TVRMCBYUTDCMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-14-10-8-6-4-2-3-5-7-9-11-15(17)19-12-13-20-16(14)18/h14H,2-13H2,1H3.
What are the key properties of 6-methyl-1,4-dioxacycloheptadecane-5,17-dione?
6-methyl-1,4-dioxacycloheptadecane-5,17-dione has a molecular weight of 284.40 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dioxacycloheptadecane-5,17-dione is sourced from PubChem (CID 19702284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).