(1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione

C20H16O2 — CID 15968012

IUPAC(1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione
SMILESO=C1[C@@H]2[C@@H]3C(=O)[C@]45[C@@H]6C=C[C@@H]6[C@]14[C@@H]1C[C@@H]5[C@@]34[C@H]3C=C[C@H](C3)[C@]214
InChIInChI=1S/C20H16O2/c21-15-13-14-16(22)20-10-4-3-9(10)19(15,20)11-6-12(20)18(14)8-2-1-7(5-8)17(11,13)18/h1-4,7-14H,5-6H2/t7-,8+,9+,10-,11-,12-,13+,14-,17-,18+,19+,20-/m1/s1
InChIKeyGVBYCAZIJWLHJZ-ARSYUUJDSA-N
MW288.35 g/mol
LogP2.01
Rot. Bonds

About (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione

(1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione (PubChem CID 15968012) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione.

Molecular Properties

Compound Name(1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione
PubChem CID15968012
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione
SMILESO=C1[C@@H]2[C@@H]3C(=O)[C@]45[C@@H]6C=C[C@@H]6[C@]14[C@@H]1C[C@@H]5[C@@]34[C@H]3C=C[C@H](C3)[C@]214
InChIInChI=1S/C20H16O2/c21-15-13-14-16(22)20-10-4-3-9(10)19(15,20)11-6-12(20)18(14)8-2-1-7(5-8)17(11,13)18/h1-4,7-14H,5-6H2/t7-,8+,9+,10-,11-,12-,13+,14-,17-,18+,19+,20-/m1/s1
InChIKeyGVBYCAZIJWLHJZ-ARSYUUJDSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione with MolForge

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Related Compounds

(1R,2S,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione
CID 10469374
(1S,4R,7S,10R,11S,14R,15S,18R)-heptacyclo[8.4.4.14,7.111,14.01,10.03,8.015,18]icosa-3(8),5,12,16-tetraene-2,9-dione
CID 10379358
(1S,2S,3S,4R,5R,7S,8R,9S,11R,12R,13R,15S)-octacyclo[10.3.2.12,8.02,11.03,7.04,11.05,9.013,15]octadec-16-ene-10,18-dione
CID 101237452
(1S,3R,4S,6S,7R,8S,9S,10R,13S,16R)-octacyclo[8.6.0.01,6.03,9.04,8.06,13.07,11.012,16]hexadec-14-ene-2,5-dione
CID 98556936
(1R,2R,7R,8R)-2,4,5,7-tetrachlorotricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione
CID 98269507
2-methoxy-4,5-bis(methylsulfanyl)tricyclo[6.2.1.02,7]undec-9-ene-3,6-dione
CID 159382818
(1S,4R,7R)-7-acetyl-3,3-dimethoxybicyclo[2.2.2]oct-5-en-2-one
CID 101401918
(1R,2R,4R,5S,8S,9R,11S,12R)-3,10-dioxopentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-2,11-dicarbonitrile
CID 98478500
methyl (1R,2S,4S)-8,8-dimethoxy-7-oxobicyclo[2.2.2]oct-5-ene-2-carboxylate
CID 101401915
(1R,2R,5R)-2-(hydroxymethyl)spiro[bicyclo[3.2.1]oct-6-ene-8,1'-cyclopropane]-3-one
CID 130834335
15-oxaoctacyclo[10.5.2.12,8.02,11.03,7.04,11.05,9.013,17]icos-18-ene-10,14,16,20-tetrone
CID 15921750
(1S,10S,11R,14R)-pentacyclo[8.4.4.111,14.01,10.03,8]nonadeca-3,5,7,12-tetraene-2,9,15,18-tetrone
CID 99641371

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione?
The IUPAC name of (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione (CID 15968012) is (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione.
What is the SMILES notation for (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione?
The canonical SMILES for (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione is O=C1[C@@H]2[C@@H]3C(=O)[C@]45[C@@H]6C=C[C@@H]6[C@]14[C@@H]1C[C@@H]5[C@@]34[C@H]3C=C[C@H](C3)[C@]214.
What is the InChIKey of (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione?
The InChIKey is GVBYCAZIJWLHJZ-ARSYUUJDSA-N. The full InChI is InChI=1S/C20H16O2/c21-15-13-14-16(22)20-10-4-3-9(10)19(15,20)11-6-12(20)18(14)8-2-1-7(5-8)17(11,13)18/h1-4,7-14H,5-6H2/t7-,8+,9+,10-,11-,12-,13+,14-,17-,18+,19+,20-/m1/s1.
What are the key properties of (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione?
(1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione has a molecular weight of 288.35 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5S,6R,9S,10R,11R,12S,14S,15R,18S)-nonacyclo[9.7.1.16,9.01,14.02,10.04,14.05,10.05,12.015,18]icosa-7,16-diene-13,19-dione is sourced from PubChem (CID 15968012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).