7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one

C18H24O5 — CID 20725858

IUPAC7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
SMILESCCCC1CC2CC(O)CC(Cc3cccc(O)c3C(=O)O1)O2
InChIInChI=1S/C18H24O5/c1-2-4-13-10-15-9-12(19)8-14(22-15)7-11-5-3-6-16(20)17(11)18(21)23-13/h3,5-6,12-15,19-20H,2,4,7-10H2,1H3
InChIKeyXRJBIULNXUVWBX-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.57
Rot. Bonds2

About 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one

7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one (PubChem CID 20725858) has the molecular formula C18H24O5 and a molecular weight of 320.38 g/mol. Its IUPAC name is 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one.

Molecular Properties

Compound Name7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
PubChem CID20725858
Molecular FormulaC18H24O5
Molecular Weight320.38 g/mol
Exact Mass320.16
IUPAC Name7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
SMILESCCCC1CC2CC(O)CC(Cc3cccc(O)c3C(=O)O1)O2
InChIInChI=1S/C18H24O5/c1-2-4-13-10-15-9-12(19)8-14(22-15)7-11-5-3-6-16(20)17(11)18(21)23-13/h3,5-6,12-15,19-20H,2,4,7-10H2,1H3
InChIKeyXRJBIULNXUVWBX-UHFFFAOYSA-N
XLogP2.57
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one with MolForge

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Related Compounds

(1S,11S,13R,15R)-7,15-dihydroxy-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
CID 11771519
(2Z)-N-[(E)-3-[(1S)-7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide
CID 173491309
prop-2-enyl (E)-4-[(1S,11S,13R)-7,15-dihydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]but-2-enoate
CID 102572170
7-hydroxy-11-[(E)-4-methoxybut-2-enyl]-15-methyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
CID 59093276
(3S)-8-hydroxy-3-methyl-3,4-dihydroisochromen-1-one
CID 10921069
(2Z,4Z)-N-[(Z)-3-[(1S,11S,13S,15S)-15-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-9-oxo-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-11-yl]prop-1-enyl]hepta-2,4-dienamide
CID 56958544
[(1S,11S,13R,15R)-7-hydroxy-9-oxo-11-[(E)-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]prop-2-enyl]-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-15-yl] acetate
CID 101335925
3-propyl-3,4-dihydroisochromen-1-one
CID 11116834
(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
[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]azanium chloride
CID 85361826
(1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
CID 101116086
8-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 130036440

Frequently Asked Questions

What is the IUPAC name of 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?
The IUPAC name of 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one (CID 20725858) is 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one.
What is the SMILES notation for 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?
The canonical SMILES for 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one is CCCC1CC2CC(O)CC(Cc3cccc(O)c3C(=O)O1)O2.
What is the InChIKey of 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?
The InChIKey is XRJBIULNXUVWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O5/c1-2-4-13-10-15-9-12(19)8-14(22-15)7-11-5-3-6-16(20)17(11)18(21)23-13/h3,5-6,12-15,19-20H,2,4,7-10H2,1H3.
What are the key properties of 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?
7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one has a molecular weight of 320.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-dihydroxy-11-propyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one is sourced from PubChem (CID 20725858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).