2-methyl-1,4-dioxacyclooctadecane-5,18-dione

C17H30O4 — CID 18006200

IUPAC2-methyl-1,4-dioxacyclooctadecane-5,18-dione
SMILESCC1COC(=O)CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O4/c1-15-14-20-16(18)12-10-8-6-4-2-3-5-7-9-11-13-17(19)21-15/h15H,2-14H2,1H3
InChIKeyXBVFGIFCFKCQTR-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.16
Rot. Bonds

About 2-methyl-1,4-dioxacyclooctadecane-5,18-dione

2-methyl-1,4-dioxacyclooctadecane-5,18-dione (PubChem CID 18006200) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is 2-methyl-1,4-dioxacyclooctadecane-5,18-dione.

Molecular Properties

Compound Name2-methyl-1,4-dioxacyclooctadecane-5,18-dione
PubChem CID18006200
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name2-methyl-1,4-dioxacyclooctadecane-5,18-dione
SMILESCC1COC(=O)CCCCCCCCCCCCC(=O)O1
InChIInChI=1S/C17H30O4/c1-15-14-20-16(18)12-10-8-6-4-2-3-5-7-9-11-13-17(19)21-15/h15H,2-14H2,1H3
InChIKeyXBVFGIFCFKCQTR-UHFFFAOYSA-N
XLogP4.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1,4-dioxacyclooctadecane-5,18-dione with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-methyl-1,4-dioxacyclotetradecane-5,14-dione
CID 7075077
(15S)-15-methyl-oxacyclopentadecan-2-one
CID 86278289
(16R)-16-methyl-oxacyclohexadecan-2-one
CID 10978020
(14R)-14-methyl-oxacyclotetradecan-2-one
CID 11009676
6-methyloxan-2-one;oxepan-2-one
CID 167589650
9-methyl-1,8-dioxacyclohexadecane-2,7-dione
CID 67348621
2,3-dimethyl-1,5-dioxacycloheptadecane-6,17-dione;ethane-1,2-diol
CID 70414102
6-methyloxan-2-one
CID 160564586
2-methyl-1-oxa-5-azacyclotridecane-6,13-dione
CID 71819182
2-cyclohexyl-1,4-dioxecane-5,10-dione
CID 54163807
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
(6S)-6-methyloxepan-2-one
CID 14866717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dioxacyclooctadecane-5,18-dione?
The IUPAC name of 2-methyl-1,4-dioxacyclooctadecane-5,18-dione (CID 18006200) is 2-methyl-1,4-dioxacyclooctadecane-5,18-dione.
What is the SMILES notation for 2-methyl-1,4-dioxacyclooctadecane-5,18-dione?
The canonical SMILES for 2-methyl-1,4-dioxacyclooctadecane-5,18-dione is CC1COC(=O)CCCCCCCCCCCCC(=O)O1.
What is the InChIKey of 2-methyl-1,4-dioxacyclooctadecane-5,18-dione?
The InChIKey is XBVFGIFCFKCQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O4/c1-15-14-20-16(18)12-10-8-6-4-2-3-5-7-9-11-13-17(19)21-15/h15H,2-14H2,1H3.
What are the key properties of 2-methyl-1,4-dioxacyclooctadecane-5,18-dione?
2-methyl-1,4-dioxacyclooctadecane-5,18-dione has a molecular weight of 298.42 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dioxacyclooctadecane-5,18-dione is sourced from PubChem (CID 18006200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).