(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione

C22H26O6 — CID 143627391

IUPAC(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
SMILESO=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)c(C3CCCCO3)c2C1
InChIInChI=1S/C22H26O6/c23-15-9-5-3-1-2-4-7-12-28-22(26)21-16(13-15)20(17(24)14-18(21)25)19-10-6-8-11-27-19/h2,4-5,9,14,19,24-25H,1,3,6-8,10-13H2/b4-2+,9-5+
InChIKeyQKBWEUBRSHSVKH-UDBWGUGXSA-N
MW386.44 g/mol
LogP3.90
Rot. Bonds1

About (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione

(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione (PubChem CID 143627391) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione.

Molecular Properties

Compound Name(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
PubChem CID143627391
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
SMILESO=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)c(C3CCCCO3)c2C1
InChIInChI=1S/C22H26O6/c23-15-9-5-3-1-2-4-7-12-28-22(26)21-16(13-15)20(17(24)14-18(21)25)19-10-6-8-11-27-19/h2,4-5,9,14,19,24-25H,1,3,6-8,10-13H2/b4-2+,9-5+
InChIKeyQKBWEUBRSHSVKH-UDBWGUGXSA-N
XLogP3.90
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,6E,10E)-16,18-dihydroxy-4-methyl-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione
CID 24824503
(6E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 152773488
benzene;(6E,10E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 143627522
(6E,10E)-18-hydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 143627405
(6Z)-14-chloro-15,17-dihydroxy-3-oxabicyclo[11.4.0]heptadeca-1(13),6,14,16-tetraene-2,11-dione
CID 11963551
(4S,6E,10E)-4-ethenyl-12,16,18-trihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 131970823
(4R)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 91278366
(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
CID 131970706
(6E,10E,12E)-12-ethoxyimino-16,18-dihydroxy-15-methyl-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaen-2-one
CID 89014950
(6Z,10S,12E)-16-chloro-10,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
CID 58750053
(10E)-15-chloro-16,18-dihydroxy-12-imino-7-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraen-2-one
CID 131970414
(6E,10E,12E)-15-chloro-12-ethoxyimino-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one;isocyanic acid
CID 172942898

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione?
The IUPAC name of (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione (CID 143627391) is (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione.
What is the SMILES notation for (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione?
The canonical SMILES for (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione is O=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)c(C3CCCCO3)c2C1.
What is the InChIKey of (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione?
The InChIKey is QKBWEUBRSHSVKH-UDBWGUGXSA-N. The full InChI is InChI=1S/C22H26O6/c23-15-9-5-3-1-2-4-7-12-28-22(26)21-16(13-15)20(17(24)14-18(21)25)19-10-6-8-11-27-19/h2,4-5,9,14,19,24-25H,1,3,6-8,10-13H2/b4-2+,9-5+.
What are the key properties of (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione?
(6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione has a molecular weight of 386.44 g/mol, XLogP of 3.90, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-16,18-dihydroxy-15-(oxan-2-yl)-3-oxabicyclo[12.4.0]octadeca-1(18),6,10,14,16-pentaene-2,12-dione is sourced from PubChem (CID 143627391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).