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

C16H24O4 — CID 5367609

IUPAC(3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESCC1CCC/C=C/C(=O)OC(C)CCC/C=C/C(=O)O1
InChIInChI=1S/C16H24O4/c1-13-9-5-3-7-12-16(18)20-14(2)10-6-4-8-11-15(17)19-13/h7-8,11-14H,3-6,9-10H2,1-2H3/b11-8+,12-7+
InChIKeyJSUHPRYJCGQAPE-NFLJZBCPSA-N
MW280.36 g/mol
LogP3.32
Rot. Bonds

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

(3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (PubChem CID 5367609) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.

Molecular Properties

Compound Name(3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
PubChem CID5367609
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name(3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
SMILESCC1CCC/C=C/C(=O)OC(C)CCC/C=C/C(=O)O1
InChIInChI=1S/C16H24O4/c1-13-9-5-3-7-12-16(18)20-14(2)10-6-4-8-11-15(17)19-13/h7-8,11-14H,3-6,9-10H2,1-2H3/b11-8+,12-7+
InChIKeyJSUHPRYJCGQAPE-NFLJZBCPSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (E)-2-heptenoate
CID 5358363
2-Nonenoic acid gamma-lactone
CID 89559
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
Hexyl 2-hexenoate, (2E)-
CID 6435861
Ethyl 2-octenoate, (2E)-
CID 5364399
Butyl 2-decenoate
CID 5463906
5-hexylfuran-2(5H)-one
CID 102833
(+-)-Massoia lactone
CID 39914
Butyl oct-2-enoate
CID 93661
Butyl hex-2-enoate
CID 575426
(5S,8R,13S,16R)-(-)-Pyrenophorol
CID 10935870

Frequently Asked Questions

What is the IUPAC name of (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The IUPAC name of (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione (CID 5367609) is (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione.
What is the SMILES notation for (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The canonical SMILES for (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is CC1CCC/C=C/C(=O)OC(C)CCC/C=C/C(=O)O1.
What is the InChIKey of (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
The InChIKey is JSUHPRYJCGQAPE-NFLJZBCPSA-N. The full InChI is InChI=1S/C16H24O4/c1-13-9-5-3-7-12-16(18)20-14(2)10-6-4-8-11-15(17)19-13/h7-8,11-14H,3-6,9-10H2,1-2H3/b11-8+,12-7+.
What are the key properties of (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione?
(3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione has a molecular weight of 280.36 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11E)-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione is sourced from PubChem (CID 5367609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).