(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione

C18H28O4 — CID 10171842

IUPAC(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
SMILESCC1/C=C/C(=O)CCCOCCOCCCC(=O)/C=C/CC1
InChIInChI=1S/C18H28O4/c1-16-6-2-3-7-17(19)8-4-12-21-14-15-22-13-5-9-18(20)11-10-16/h3,7,10-11,16H,2,4-6,8-9,12-15H2,1H3/b7-3+,11-10+
InChIKeyNNRUTMNWRMAWRS-LRPGZYIXSA-N
MW308.42 g/mol
LogP3.26
Rot. Bonds

About (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione

(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione (PubChem CID 10171842) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione.

Molecular Properties

Compound Name(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
PubChem CID10171842
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
SMILESCC1/C=C/C(=O)CCCOCCOCCCC(=O)/C=C/CC1
InChIInChI=1S/C18H28O4/c1-16-6-2-3-7-17(19)8-4-12-21-14-15-22-13-5-9-18(20)11-10-16/h3,7,10-11,16H,2,4-6,8-9,12-15H2,1H3/b7-3+,11-10+
InChIKeyNNRUTMNWRMAWRS-LRPGZYIXSA-N
XLogP3.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione with MolForge

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Related Compounds

2-Methyl-5-[2-[2-[2-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)ethoxy]ethoxy]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 2729489
(9E,15E)-1,4-dioxacycloicosa-9,15-diene-8,17-dione
CID 10193184
(9E,17E)-13-methyl-1,4-dioxacyclodocosa-9,17-diene-8,19-dione
CID 10193612
(9E,14E)-1,4-dioxacyclononadeca-9,14-diene-8,16-dione
CID 10308363
13-Methyl-1,4-dioxacyclodocosa-10,17-diene-8,19-dione
CID 90796572
1,4-Dioxacycloicosa-10,15-diene-8,17-dione
CID 90880672
(4R)-5-methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
CID 138504036
5-Methylidene-4-[(2-methylpropan-2-yl)oxymethyl]cyclopent-2-en-1-one
CID 138504038
5-Methyl-6-[2-[1-(2-methyl-4-oxohex-5-enoxy)propan-2-yloxy]ethoxy]hex-1-en-3-one
CID 152795552
6-(2-Methoxyethoxy)-5-methylhex-1-en-3-one
CID 158126506
(E)-7-methyl-1-(4-oxopentoxy)oct-5-en-4-one
CID 160329726
5-Methyl-6-[2-[2-(2-methyl-4-oxohex-5-enoxy)propoxy]ethoxy]hex-1-en-3-one
CID 162157141

Frequently Asked Questions

What is the IUPAC name of (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
The IUPAC name of (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione (CID 10171842) is (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione.
What is the SMILES notation for (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
The canonical SMILES for (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione is CC1/C=C/C(=O)CCCOCCOCCCC(=O)/C=C/CC1.
What is the InChIKey of (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
The InChIKey is NNRUTMNWRMAWRS-LRPGZYIXSA-N. The full InChI is InChI=1S/C18H28O4/c1-16-6-2-3-7-17(19)8-4-12-21-14-15-22-13-5-9-18(20)11-10-16/h3,7,10-11,16H,2,4-6,8-9,12-15H2,1H3/b7-3+,11-10+.
What are the key properties of (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione?
(9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione has a molecular weight of 308.42 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,14E)-11-methyl-1,4-dioxacyclononadeca-9,14-diene-8,16-dione is sourced from PubChem (CID 10171842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).