9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

C19H22O5 — CID 76753985

IUPAC9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
SMILESCc1cc(O)c2c(c1)C=CCCC(O)C(=O)C=CCC(C)OC2=O
InChIInChI=1S/C19H22O5/c1-12-10-14-7-3-4-8-15(20)16(21)9-5-6-13(2)24-19(23)18(14)17(22)11-12/h3,5,7,9-11,13,15,20,22H,4,6,8H2,1-2H3
InChIKeyUWZGEDWQXRBNJK-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.93
Rot. Bonds

About 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione

9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (PubChem CID 76753985) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.

Molecular Properties

Compound Name9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
PubChem CID76753985
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
SMILESCc1cc(O)c2c(c1)C=CCCC(O)C(=O)C=CCC(C)OC2=O
InChIInChI=1S/C19H22O5/c1-12-10-14-7-3-4-8-15(20)16(21)9-5-6-13(2)24-19(23)18(14)17(22)11-12/h3,5,7,9-11,13,15,20,22H,4,6,8H2,1-2H3
InChIKeyUWZGEDWQXRBNJK-UHFFFAOYSA-N
XLogP2.93
TPSA83.83 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

Analyze 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione with MolForge

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Related Compounds

(4S,6Z,9S,10S)-9,10,18-trihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
CID 58373428
(4S,6Z,8R,9S,12Z)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one
CID 99721673
(4R,5R,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58305037
(6Z,12E)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 126636332
(5S,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58304385
(4S,9S,10S,12Z)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 163036879
(4S,6E,9R,10R)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 156580487
sulfane;(6Z,9S,10S,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 134694197
(4S,8R,9Z,12S,13S,15E)-12,13,21-trihydroxy-19-methyl-3-oxatricyclo[15.4.0.04,8]henicosa-1(17),9,15,18,20-pentaene-2,11-dione
CID 58304382
(4S,6Z,9S,10R,12E)-9,10,18-trihydroxy-16-(methoxymethoxy)-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 59467208
(2E,5S,9S,11Z,14S)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-dione;(4S,6Z,9S,10S)-9,10,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione;(4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 160868793
(4S,6Z,9S,10S,12E)-9,10,18-trihydroxy-4-methyl-16-(2,2,2-trifluoroethylamino)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 126636627

Frequently Asked Questions

What is the IUPAC name of 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
The IUPAC name of 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione (CID 76753985) is 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione.
What is the SMILES notation for 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
The canonical SMILES for 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is Cc1cc(O)c2c(c1)C=CCCC(O)C(=O)C=CCC(C)OC2=O.
What is the InChIKey of 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
The InChIKey is UWZGEDWQXRBNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-12-10-14-7-3-4-8-15(20)16(21)9-5-6-13(2)24-19(23)18(14)17(22)11-12/h3,5,7,9-11,13,15,20,22H,4,6,8H2,1-2H3.
What are the key properties of 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione?
9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-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 9,18-dihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione is sourced from PubChem (CID 76753985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).