(7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione

C20H24O4 — CID 23426411

IUPAC(7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione
SMILESC=C1CC(=O)/C=C(/C)C(=O)CC(C(=C)C)CCC2=C[C@H](C1)OC2=O
InChIInChI=1S/C20H24O4/c1-12(2)15-5-6-16-10-18(24-20(16)23)8-13(3)7-17(21)9-14(4)19(22)11-15/h9-10,15,18H,1,3,5-8,11H2,2,4H3/b14-9-/t15?,18-/m0/s1
InChIKeyDAKHLHOHFLYGKL-QRFHVFNSSA-N
MW328.41 g/mol
LogP3.64
Rot. Bonds1

About (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione

(7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione (PubChem CID 23426411) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione.

Molecular Properties

Compound Name(7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione
PubChem CID23426411
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione
SMILESC=C1CC(=O)/C=C(/C)C(=O)CC(C(=C)C)CCC2=C[C@H](C1)OC2=O
InChIInChI=1S/C20H24O4/c1-12(2)15-5-6-16-10-18(24-20(16)23)8-13(3)7-17(21)9-14(4)19(22)11-15/h9-10,15,18H,1,3,5-8,11H2,2,4H3/b14-9-/t15?,18-/m0/s1
InChIKeyDAKHLHOHFLYGKL-QRFHVFNSSA-N
XLogP3.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione?
The IUPAC name of (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione (CID 23426411) is (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione.
What is the SMILES notation for (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione?
The canonical SMILES for (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione is C=C1CC(=O)/C=C(/C)C(=O)CC(C(=C)C)CCC2=C[C@H](C1)OC2=O.
What is the InChIKey of (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione?
The InChIKey is DAKHLHOHFLYGKL-QRFHVFNSSA-N. The full InChI is InChI=1S/C20H24O4/c1-12(2)15-5-6-16-10-18(24-20(16)23)8-13(3)7-17(21)9-14(4)19(22)11-15/h9-10,15,18H,1,3,5-8,11H2,2,4H3/b14-9-/t15?,18-/m0/s1.
What are the key properties of (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione?
(7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione has a molecular weight of 328.41 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,13S)-7-methyl-11-methylidene-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7-diene-6,9,15-trione is sourced from PubChem (CID 23426411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).