8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone

C16H24O10 — CID 575175

IUPAC8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone
SMILESCC1OC(=O)COCC(=O)OC(C)C(C)OC(=O)COCC(=O)OC1C
InChIInChI=1S/C16H24O10/c1-9-10(2)24-14(18)6-22-8-16(20)26-12(4)11(3)25-15(19)7-21-5-13(17)23-9/h9-12H,5-8H2,1-4H3
InChIKeyNWIJZPMSGAHNMY-UHFFFAOYSA-N
MW376.36 g/mol
LogP-0.24
Rot. Bonds

About 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone

8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone (PubChem CID 575175) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone.

Molecular Properties

Compound Name8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone
PubChem CID575175
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone
SMILESCC1OC(=O)COCC(=O)OC(C)C(C)OC(=O)COCC(=O)OC1C
InChIInChI=1S/C16H24O10/c1-9-10(2)24-14(18)6-22-8-16(20)26-12(4)11(3)25-15(19)7-21-5-13(17)23-9/h9-12H,5-8H2,1-4H3
InChIKeyNWIJZPMSGAHNMY-UHFFFAOYSA-N
XLogP-0.24
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone 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 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone?
The IUPAC name of 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone (CID 575175) is 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone.
What is the SMILES notation for 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone?
The canonical SMILES for 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone is CC1OC(=O)COCC(=O)OC(C)C(C)OC(=O)COCC(=O)OC1C.
What is the InChIKey of 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone?
The InChIKey is NWIJZPMSGAHNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O10/c1-9-10(2)24-14(18)6-22-8-16(20)26-12(4)11(3)25-15(19)7-21-5-13(17)23-9/h9-12H,5-8H2,1-4H3.
What are the key properties of 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone?
8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone has a molecular weight of 376.36 g/mol, XLogP of -0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9,17,18-tetramethyl-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6,11,15-tetrone is sourced from PubChem (CID 575175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).