(4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione

C20H24O4 — CID 14263431

IUPAC(4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione
SMILESC=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/C(=O)/C=C(/C)C(=O)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/h7,9-10,15,18H,1,5-6,8,11H2,2-4H3/b13-7+,14-9-/t15-,18+/m1/s1
InChIKeyVOJXZPBBXJWSIE-CCLTYUHLSA-N
MW328.41 g/mol
LogP3.64
Rot. Bonds1

About (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione

(4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione (PubChem CID 14263431) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione.

Molecular Properties

Compound Name(4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione
PubChem CID14263431
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione
SMILESC=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/C(=O)/C=C(/C)C(=O)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/h7,9-10,15,18H,1,5-6,8,11H2,2-4H3/b13-7+,14-9-/t15-,18+/m1/s1
InChIKeyVOJXZPBBXJWSIE-CCLTYUHLSA-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 (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione?
The IUPAC name of (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione (CID 14263431) is (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione.
What is the SMILES notation for (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione?
The canonical SMILES for (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione is C=C(C)[C@@H]1CCC2=C[C@H](C/C(C)=C/C(=O)/C=C(/C)C(=O)C1)OC2=O.
What is the InChIKey of (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione?
The InChIKey is VOJXZPBBXJWSIE-CCLTYUHLSA-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/h7,9-10,15,18H,1,5-6,8,11H2,2-4H3/b13-7+,14-9-/t15-,18+/m1/s1.
What are the key properties of (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione?
(4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-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 (4R,7Z,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),7,10-triene-6,9,15-trione is sourced from PubChem (CID 14263431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).