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

C20H24O4 — CID 12000066

IUPAC(4R,7Z,10R,11R)-7-methyl-4,10-bis(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@@H](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/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3/b13-8-/t14-,18-,19+/m1/s1
InChIKeyYEBDNBDBHUUVGR-OSGWYAKPSA-N
MW328.41 g/mol
LogP3.49
Rot. Bonds2

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

(4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione (PubChem CID 12000066) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione.

Molecular Properties

Compound Name(4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione
PubChem CID12000066
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(4R,7Z,10R,11R)-7-methyl-4,10-bis(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@@H](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/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3/b13-8-/t14-,18-,19+/m1/s1
InChIKeyYEBDNBDBHUUVGR-OSGWYAKPSA-N
XLogP3.49
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
The IUPAC name of (4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione (CID 12000066) is (4R,7Z,10R,11R)-7-methyl-4,10-bis(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,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
The canonical SMILES for (4R,7Z,10R,11R)-7-methyl-4,10-bis(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@@H](C(=C)C)C(=O)/C=C(/C)C(=O)C1.
What is the InChIKey of (4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
The InChIKey is YEBDNBDBHUUVGR-OSGWYAKPSA-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/h8,10,14,18-19H,1,3,6-7,9H2,2,4-5H3/b13-8-/t14-,18-,19+/m1/s1.
What are the key properties of (4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione?
(4R,7Z,10R,11R)-7-methyl-4,10-bis(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 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7Z,10R,11R)-7-methyl-4,10-bis(prop-1-en-2-yl)-12-oxabicyclo[9.2.1]tetradeca-1(14),7-diene-6,9,13-trione is sourced from PubChem (CID 12000066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).