(3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

C16H20O4 — CID 5371039

IUPAC(3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESCC1C/C=C/C=C/C(=O)OC(C)C/C=C/C=C/C(=O)O1
InChIInChI=1S/C16H20O4/c1-13-9-5-3-7-12-16(18)20-14(2)10-6-4-8-11-15(17)19-13/h3-8,11-14H,9-10H2,1-2H3/b5-3+,6-4+,11-8+,12-7+
InChIKeyXQBSQYZKUQYYAV-OTRXWVIUSA-N
MW276.33 g/mol
LogP2.87
Rot. Bonds

About (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione

(3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (PubChem CID 5371039) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.

Molecular Properties

Compound Name(3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
PubChem CID5371039
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name(3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione
SMILESCC1C/C=C/C=C/C(=O)OC(C)C/C=C/C=C/C(=O)O1
InChIInChI=1S/C16H20O4/c1-13-9-5-3-7-12-16(18)20-14(2)10-6-4-8-11-15(17)19-13/h3-8,11-14H,9-10H2,1-2H3/b5-3+,6-4+,11-8+,12-7+
InChIKeyXQBSQYZKUQYYAV-OTRXWVIUSA-N
XLogP2.87
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione with MolForge

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Related Compounds

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CID 5281162
3-Hexenyl-2-butenoate, (2E,3Z)-
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3-Hexenyl 2-hexenoate, (3Z,2E)-
CID 5367679
2,4-Decadienoic acid, ethyl ester, (2E,4E)-
CID 5371455
Parasorbic acid
CID 441575
Propyl 2,4-decadienoate, (2E,4E)-
CID 5362592
Propyl deca-2,4-dienoate
CID 119922
Ethyl 2,4,7-decatrienoate
CID 3018771
Propyl (2E,4Z)-2,4-decadienoate
CID 6438200
6-methyl-5,6-dihydro-2H-pyran-2-one
CID 24869
(2E,4E,6Z)-Methyl deca-2,4,6-trienoate
CID 11052245
methyl (2E,4Z,6Z)-2,4,6-decatrienoate
CID 11745232

Frequently Asked Questions

What is the IUPAC name of (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The IUPAC name of (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione (CID 5371039) is (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione.
What is the SMILES notation for (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The canonical SMILES for (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is CC1C/C=C/C=C/C(=O)OC(C)C/C=C/C=C/C(=O)O1.
What is the InChIKey of (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
The InChIKey is XQBSQYZKUQYYAV-OTRXWVIUSA-N. The full InChI is InChI=1S/C16H20O4/c1-13-9-5-3-7-12-16(18)20-14(2)10-6-4-8-11-15(17)19-13/h3-8,11-14H,9-10H2,1-2H3/b5-3+,6-4+,11-8+,12-7+.
What are the key properties of (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione?
(3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione has a molecular weight of 276.33 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,11E,13E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,5,11,13-tetraene-2,10-dione is sourced from PubChem (CID 5371039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).