(4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione

C20H24O4 — CID 14263426

IUPAC(4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione
SMILESC=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)/C=C(\C)C(=O)C1
InChIInChI=1S/C20H24O4/c1-11(2)14-6-7-15-10-18(24-20(15)23)19(12(3)4)17(22)8-13(5)16(21)9-14/h8,10,14,18H,1,6-7,9H2,2-5H3/b13-8+/t14-,18-/m1/s1
InChIKeyLJIFZXPRNZEHKA-DJMYYBMESA-N
MW328.41 g/mol
LogP3.64
Rot. Bonds1

About (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione

(4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione (PubChem CID 14263426) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione.

Molecular Properties

Compound Name(4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione
PubChem CID14263426
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione
SMILESC=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)/C=C(\C)C(=O)C1
InChIInChI=1S/C20H24O4/c1-11(2)14-6-7-15-10-18(24-20(15)23)19(12(3)4)17(22)8-13(5)16(21)9-14/h8,10,14,18H,1,6-7,9H2,2-5H3/b13-8+/t14-,18-/m1/s1
InChIKeyLJIFZXPRNZEHKA-DJMYYBMESA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
The IUPAC name of (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione (CID 14263426) is (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione.
What is the SMILES notation for (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
The canonical SMILES for (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione is C=C(C)[C@@H]1CCC2=C[C@@H](OC2=O)C(=C(C)C)C(=O)/C=C(\C)C(=O)C1.
What is the InChIKey of (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
The InChIKey is LJIFZXPRNZEHKA-DJMYYBMESA-N. The full InChI is InChI=1S/C20H24O4/c1-11(2)14-6-7-15-10-18(24-20(15)23)19(12(3)4)17(22)8-13(5)16(21)9-14/h8,10,14,18H,1,6-7,9H2,2-5H3/b13-8+/t14-,18-/m1/s1.
What are the key properties of (4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
(4R,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-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,7E,11R)-7-methyl-10-propan-2-ylidene-4-prop-1-en-2-yl-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione is sourced from PubChem (CID 14263426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).