(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

C20H25NO5 — CID 89014950

IUPAC(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
SMILESCCO/N=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)c(C)c2C1
InChIInChI=1S/C20H25NO5/c1-3-26-21-15-10-8-6-4-5-7-9-11-25-20(24)19-16(12-15)14(2)17(22)13-18(19)23/h5,7-8,10,13,22-23H,3-4,6,9,11-12H2,1-2H3/b7-5+,10-8+,21-15-
InChIKeyLIOSYWFWMAIHQL-HAPWZYSHSA-N
MW359.42 g/mol
LogP3.79
Rot. Bonds2

About (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

(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 (PubChem CID 89014950) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID89014950
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name(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
SMILESCCO/N=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)c(C)c2C1
InChIInChI=1S/C20H25NO5/c1-3-26-21-15-10-8-6-4-5-7-9-11-25-20(24)19-16(12-15)14(2)17(22)13-18(19)23/h5,7-8,10,13,22-23H,3-4,6,9,11-12H2,1-2H3/b7-5+,10-8+,21-15-
InChIKeyLIOSYWFWMAIHQL-HAPWZYSHSA-N
XLogP3.79
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCO/N=C1/C=C/CC/C=C/CCOC(=O)c2c(O)cc(O)c(C)c2C1.
What is the InChIKey of (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?
The InChIKey is LIOSYWFWMAIHQL-HAPWZYSHSA-N. The full InChI is InChI=1S/C20H25NO5/c1-3-26-21-15-10-8-6-4-5-7-9-11-25-20(24)19-16(12-15)14(2)17(22)13-18(19)23/h5,7-8,10,13,22-23H,3-4,6,9,11-12H2,1-2H3/b7-5+,10-8+,21-15-.
What are the key properties of (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?
(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 has a molecular weight of 359.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 89014950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).