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

C19H30O5 — CID 58061624

IUPAC7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione
SMILESCC12CCC(=O)CCC3COC(C)(CCC(=O)CCC(CC1)O2)O3
InChIInChI=1S/C19H30O5/c1-18-10-7-14(20)4-6-17-13-22-19(2,24-17)12-8-15(21)3-5-16(23-18)9-11-18/h16-17H,3-13H2,1-2H3
InChIKeyOESVRSNTBSAIBH-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.33
Rot. Bonds

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

7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione (PubChem CID 58061624) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione.

Molecular Properties

Compound Name7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione
PubChem CID58061624
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Name7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione
SMILESCC12CCC(=O)CCC3COC(C)(CCC(=O)CCC(CC1)O2)O3
InChIInChI=1S/C19H30O5/c1-18-10-7-14(20)4-6-17-13-22-19(2,24-17)12-8-15(21)3-5-16(23-18)9-11-18/h16-17H,3-13H2,1-2H3
InChIKeyOESVRSNTBSAIBH-UHFFFAOYSA-N
XLogP3.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione?
The IUPAC name of 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione (CID 58061624) is 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione.
What is the SMILES notation for 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione?
The canonical SMILES for 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione is CC12CCC(=O)CCC3COC(C)(CCC(=O)CCC(CC1)O2)O3.
What is the InChIKey of 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione?
The InChIKey is OESVRSNTBSAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-18-10-7-14(20)4-6-17-13-22-19(2,24-17)12-8-15(21)3-5-16(23-18)9-11-18/h16-17H,3-13H2,1-2H3.
What are the key properties of 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione?
7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione has a molecular weight of 338.44 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-dimethyl-8,19,20-trioxatricyclo[14.2.1.17,10]icosane-4,13-dione is sourced from PubChem (CID 58061624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).