17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione

C19H22O5 — CID 163037258

IUPAC17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
SMILESCC1CC(=O)c2c(O)cc(O)cc2CC(=O)C=CCCC2OC2C1
InChIInChI=1S/C19H22O5/c1-11-6-15(22)19-12(9-14(21)10-16(19)23)8-13(20)4-2-3-5-17-18(7-11)24-17/h2,4,9-11,17-18,21,23H,3,5-8H2,1H3
InChIKeyGHCYBMDBDBNRCM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.93
Rot. Bonds

About 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione

17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione (PubChem CID 163037258) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione.

Molecular Properties

Compound Name17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
PubChem CID163037258
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
SMILESCC1CC(=O)c2c(O)cc(O)cc2CC(=O)C=CCCC2OC2C1
InChIInChI=1S/C19H22O5/c1-11-6-15(22)19-12(9-14(21)10-16(19)23)8-13(20)4-2-3-5-17-18(7-11)24-17/h2,4,9-11,17-18,21,23H,3,5-8H2,1H3
InChIKeyGHCYBMDBDBNRCM-UHFFFAOYSA-N
XLogP2.93
TPSA87.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(4R,6S,8S,11E)-17,19-dihydroxy-4-propyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 88571435
(4R,10E)-6,7,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
CID 59743074
14,16-dihydroxy-4-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),8,13,15-tetraene-2,10-dione
CID 72833781
(4R,6R,8R,11Z)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 101254439
(4S)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 91567393
(4R,6R,8R,11E,13R)-13,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraen-2-one
CID 45273471
(4R,6R,8S,10S,11Z)-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 162917083
(4R,11E)-19-hydroxy-17-nitroso-4-phenyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 143627500
(4R)-16,18-dihydroxy-4-methylbicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione
CID 162950126
(4R,11E)-16-chloro-17,19-dihydroxy-4-phenyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
CID 24824662
(4R,6R,8R)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),16,18-triene-2,13-dione
CID 44566247
(4R,6R,8R,9Z,11E)-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CID 6440561

Frequently Asked Questions

What is the IUPAC name of 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
The IUPAC name of 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione (CID 163037258) is 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione.
What is the SMILES notation for 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
The canonical SMILES for 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione is CC1CC(=O)c2c(O)cc(O)cc2CC(=O)C=CCCC2OC2C1.
What is the InChIKey of 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
The InChIKey is GHCYBMDBDBNRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-11-6-15(22)19-12(9-14(21)10-16(19)23)8-13(20)4-2-3-5-17-18(7-11)24-17/h2,4,9-11,17-18,21,23H,3,5-8H2,1H3.
What are the key properties of 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione?
17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione has a molecular weight of 330.38 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17,19-dihydroxy-4-methyl-7-oxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione is sourced from PubChem (CID 163037258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).