(5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone

C20H28O6 — CID 135011949

IUPAC(5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone
SMILESC[C@@H]1CCC/C=C/C(=O)CC(=O)O[C@H](C)CCC/C=C/C(=O)CC(=O)O1
InChIInChI=1S/C20H28O6/c1-15-9-5-3-7-11-18(22)14-20(24)26-16(2)10-6-4-8-12-17(21)13-19(23)25-15/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3/b11-7+,12-8+/t15-,16-/m1/s1
InChIKeyXNWYPNMAUAMVDJ-BATNXWGKSA-N
MW364.44 g/mol
LogP3.23
Rot. Bonds

About (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone

(5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone (PubChem CID 135011949) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone.

Molecular Properties

Compound Name(5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone
PubChem CID135011949
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name(5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone
SMILESC[C@@H]1CCC/C=C/C(=O)CC(=O)O[C@H](C)CCC/C=C/C(=O)CC(=O)O1
InChIInChI=1S/C20H28O6/c1-15-9-5-3-7-11-18(22)14-20(24)26-16(2)10-6-4-8-12-17(21)13-19(23)25-15/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3/b11-7+,12-8+/t15-,16-/m1/s1
InChIKeyXNWYPNMAUAMVDJ-BATNXWGKSA-N
XLogP3.23
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone?
The IUPAC name of (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone (CID 135011949) is (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone.
What is the SMILES notation for (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone?
The canonical SMILES for (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone is C[C@@H]1CCC/C=C/C(=O)CC(=O)O[C@H](C)CCC/C=C/C(=O)CC(=O)O1.
What is the InChIKey of (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone?
The InChIKey is XNWYPNMAUAMVDJ-BATNXWGKSA-N. The full InChI is InChI=1S/C20H28O6/c1-15-9-5-3-7-11-18(22)14-20(24)26-16(2)10-6-4-8-12-17(21)13-19(23)25-15/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3/b11-7+,12-8+/t15-,16-/m1/s1.
What are the key properties of (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone?
(5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone has a molecular weight of 364.44 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,10R,15E,20R)-10,20-dimethyl-1,11-dioxacycloicosa-5,15-diene-2,4,12,14-tetrone is sourced from PubChem (CID 135011949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).