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

C24H34O6 — CID 11553515

IUPAC(3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
SMILESCC(O)CC1CC(O)/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)O1
InChIInChI=1S/C24H34O6/c1-19(25)16-23-18-22(28)14-10-5-2-4-8-12-20(26)17-21(27)13-9-6-3-7-11-15-24(29)30-23/h2-11,14-15,19-23,25-28H,12-13,16-18H2,1H3/b5-2+,7-3+,8-4+,9-6+,14-10+,15-11+
InChIKeySEDBAVXIUFCBOQ-TVAXXASCSA-N
MW418.53 g/mol
LogP2.66
Rot. Bonds2

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

(3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one (PubChem CID 11553515) has the molecular formula C24H34O6 and a molecular weight of 418.53 g/mol. Its IUPAC name is (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one.

Molecular Properties

Compound Name(3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
PubChem CID11553515
Molecular FormulaC24H34O6
Molecular Weight418.53 g/mol
Exact Mass418.24
IUPAC Name(3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one
SMILESCC(O)CC1CC(O)/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)O1
InChIInChI=1S/C24H34O6/c1-19(25)16-23-18-22(28)14-10-5-2-4-8-12-20(26)17-21(27)13-9-6-3-7-11-15-24(29)30-23/h2-11,14-15,19-23,25-28H,12-13,16-18H2,1H3/b5-2+,7-3+,8-4+,9-6+,14-10+,15-11+
InChIKeySEDBAVXIUFCBOQ-TVAXXASCSA-N
XLogP2.66
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-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)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
The IUPAC name of (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one (CID 11553515) is (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one.
What is the SMILES notation for (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
The canonical SMILES for (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one is CC(O)CC1CC(O)/C=C/C=C/C=C/CC(O)CC(O)C/C=C/C=C/C=C/C(=O)O1.
What is the InChIKey of (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
The InChIKey is SEDBAVXIUFCBOQ-TVAXXASCSA-N. The full InChI is InChI=1S/C24H34O6/c1-19(25)16-23-18-22(28)14-10-5-2-4-8-12-20(26)17-21(27)13-9-6-3-7-11-15-24(29)30-23/h2-11,14-15,19-23,25-28H,12-13,16-18H2,1H3/b5-2+,7-3+,8-4+,9-6+,14-10+,15-11+.
What are the key properties of (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one?
(3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one has a molecular weight of 418.53 g/mol, XLogP of 2.66, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,14E,16E,18E)-10,12,20-trihydroxy-22-(2-hydroxypropyl)-1-oxacyclodocosa-3,5,7,14,16,18-hexaen-2-one is sourced from PubChem (CID 11553515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).