7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione

C18H28O6 — CID 147844683

IUPAC7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione
SMILESCC12CCC(=O)CCC3COC(C)(CCC(=O)CCC(CO1)O2)O3
InChIInChI=1S/C18H28O6/c1-17-9-7-13(19)4-6-16-12-22-18(2,24-16)10-8-14(20)3-5-15(23-17)11-21-17/h15-16H,3-12H2,1-2H3
InChIKeyHTQNZFCBEHWRSX-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.52
Rot. Bonds

About 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione

7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione (PubChem CID 147844683) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione.

Molecular Properties

Compound Name7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione
PubChem CID147844683
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione
SMILESCC12CCC(=O)CCC3COC(C)(CCC(=O)CCC(CO1)O2)O3
InChIInChI=1S/C18H28O6/c1-17-9-7-13(19)4-6-16-12-22-18(2,24-16)10-8-14(20)3-5-15(23-17)11-21-17/h15-16H,3-12H2,1-2H3
InChIKeyHTQNZFCBEHWRSX-UHFFFAOYSA-N
XLogP2.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione?
The IUPAC name of 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione (CID 147844683) is 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione.
What is the SMILES notation for 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione?
The canonical SMILES for 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione is CC12CCC(=O)CCC3COC(C)(CCC(=O)CCC(CO1)O2)O3.
What is the InChIKey of 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione?
The InChIKey is HTQNZFCBEHWRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6/c1-17-9-7-13(19)4-6-16-12-22-18(2,24-16)10-8-14(20)3-5-15(23-17)11-21-17/h15-16H,3-12H2,1-2H3.
What are the key properties of 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione?
7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione has a molecular weight of 340.42 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dimethyl-8,17,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-4,13-dione is sourced from PubChem (CID 147844683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).