(1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione

C17H26O5 — CID 15737245

IUPAC(1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione
SMILESC[C@@H]1CCCCCCCCC[C@@H]2OC(=O)O[C@H]2/C=C/C(=O)O1
InChIInChI=1S/C17H26O5/c1-13-9-7-5-3-2-4-6-8-10-14-15(22-17(19)21-14)11-12-16(18)20-13/h11-15H,2-10H2,1H3/b12-11+/t13-,14+,15+/m1/s1
InChIKeyGNYQFMDAKMGUID-RQOPNEMTSA-N
MW310.39 g/mol
LogP3.90
Rot. Bonds

About (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione

(1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione (PubChem CID 15737245) has the molecular formula C17H26O5 and a molecular weight of 310.39 g/mol. Its IUPAC name is (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione.

Molecular Properties

Compound Name(1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione
PubChem CID15737245
Molecular FormulaC17H26O5
Molecular Weight310.39 g/mol
Exact Mass310.18
IUPAC Name(1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione
SMILESC[C@@H]1CCCCCCCCC[C@@H]2OC(=O)O[C@H]2/C=C/C(=O)O1
InChIInChI=1S/C17H26O5/c1-13-9-7-5-3-2-4-6-8-10-14-15(22-17(19)21-14)11-12-16(18)20-13/h11-15H,2-10H2,1H3/b12-11+/t13-,14+,15+/m1/s1
InChIKeyGNYQFMDAKMGUID-RQOPNEMTSA-N
XLogP3.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione with MolForge

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Related Compounds

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Ramariolide B
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2(5H)-Furanone, 5-heptyl-
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5,6-Dihydro-6-undecyl-2H-pyran-2-one
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iso-cladospolide B
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Frequently Asked Questions

What is the IUPAC name of (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione?
The IUPAC name of (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione (CID 15737245) is (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione.
What is the SMILES notation for (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione?
The canonical SMILES for (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione is C[C@@H]1CCCCCCCCC[C@@H]2OC(=O)O[C@H]2/C=C/C(=O)O1.
What is the InChIKey of (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione?
The InChIKey is GNYQFMDAKMGUID-RQOPNEMTSA-N. The full InChI is InChI=1S/C17H26O5/c1-13-9-7-5-3-2-4-6-8-10-14-15(22-17(19)21-14)11-12-16(18)20-13/h11-15H,2-10H2,1H3/b12-11+/t13-,14+,15+/m1/s1.
What are the key properties of (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione?
(1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione has a molecular weight of 310.39 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,6R,16S)-6-methyl-5,17,19-trioxabicyclo[14.3.0]nonadec-2-ene-4,18-dione is sourced from PubChem (CID 15737245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).