(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one

C25H36O6 — CID 11676384

IUPAC(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
SMILESCOC1/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)OC(CC(C)O)C1
InChIInChI=1S/C25H36O6/c1-20(26)17-24-19-23(30-2)15-11-7-3-5-9-13-21(27)18-22(28)14-10-6-4-8-12-16-25(29)31-24/h3-12,15-16,20-24,26-28H,13-14,17-19H2,1-2H3/b7-3+,8-4+,9-5+,10-6+,15-11+,16-12+
InChIKeySZPWNRYGTQYOLD-VYHRDSGXSA-N
MW432.56 g/mol
LogP3.32
Rot. Bonds3

About (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one

(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one (PubChem CID 11676384) has the molecular formula C25H36O6 and a molecular weight of 432.56 g/mol. Its IUPAC name is (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one.

Molecular Properties

Compound Name(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
PubChem CID11676384
Molecular FormulaC25H36O6
Molecular Weight432.56 g/mol
Exact Mass432.25
IUPAC Name(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
SMILESCOC1/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)OC(CC(C)O)C1
InChIInChI=1S/C25H36O6/c1-20(26)17-24-19-23(30-2)15-11-7-3-5-9-13-21(27)18-22(28)14-10-6-4-8-12-16-25(29)31-24/h3-12,15-16,20-24,26-28H,13-14,17-19H2,1-2H3/b7-3+,8-4+,9-5+,10-6+,15-11+,16-12+
InChIKeySZPWNRYGTQYOLD-VYHRDSGXSA-N
XLogP3.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
The IUPAC name of (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one (CID 11676384) is (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one.
What is the SMILES notation for (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
The canonical SMILES for (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one is COC1/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)OC(CC(C)O)C1.
What is the InChIKey of (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
The InChIKey is SZPWNRYGTQYOLD-VYHRDSGXSA-N. The full InChI is InChI=1S/C25H36O6/c1-20(26)17-24-19-23(30-2)15-11-7-3-5-9-13-21(27)18-22(28)14-10-6-4-8-12-16-25(29)31-24/h3-12,15-16,20-24,26-28H,13-14,17-19H2,1-2H3/b7-3+,8-4+,9-5+,10-6+,15-11+,16-12+.
What are the key properties of (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
(3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one has a molecular weight of 432.56 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,14E,16E,18E)-10,12-dihydroxy-22-(2-hydroxypropyl)-20-methoxy-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one is sourced from PubChem (CID 11676384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).