(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol

C17H27FO5 — CID 23242480

IUPAC(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol
SMILESC=CCOC(CC)/C(OCOCCOC)=C(\F)C#CC(C)(C)O
InChIInChI=1S/C17H27FO5/c1-6-10-22-15(7-2)16(23-13-21-12-11-20-5)14(18)8-9-17(3,4)19/h6,15,19H,1,7,10-13H2,2-5H3/b16-14+
InChIKeyNJSHQGYLVGNDMA-JQIJEIRASA-N
MW330.40 g/mol
LogP2.56
Rot. Bonds11

About (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol

(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol (PubChem CID 23242480) has the molecular formula C17H27FO5 and a molecular weight of 330.40 g/mol. Its IUPAC name is (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol.

Molecular Properties

Compound Name(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol
PubChem CID23242480
Molecular FormulaC17H27FO5
Molecular Weight330.40 g/mol
Exact Mass330.18
IUPAC Name(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol
SMILESC=CCOC(CC)/C(OCOCCOC)=C(\F)C#CC(C)(C)O
InChIInChI=1S/C17H27FO5/c1-6-10-22-15(7-2)16(23-13-21-12-11-20-5)14(18)8-9-17(3,4)19/h6,15,19H,1,7,10-13H2,2-5H3/b16-14+
InChIKeyNJSHQGYLVGNDMA-JQIJEIRASA-N
XLogP2.56
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol 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

(E)-2-fluoro-3-(2-methoxyethoxymethoxy)-4-prop-2-enoxyhex-2-ene
CID 21597264
(E)-5-fluoro-4-(2-methoxyethoxymethoxy)-3-prop-2-enoxydodec-4-en-6-yne
CID 23242479
(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol
CID 23242481
(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-3-ol
CID 101994174
(4E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyocta-1,4-dien-3-ol
CID 101994175

Frequently Asked Questions

What is the IUPAC name of (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol?
The IUPAC name of (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol (CID 23242480) is (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol.
What is the SMILES notation for (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol?
The canonical SMILES for (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol is C=CCOC(CC)/C(OCOCCOC)=C(\F)C#CC(C)(C)O.
What is the InChIKey of (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol?
The InChIKey is NJSHQGYLVGNDMA-JQIJEIRASA-N. The full InChI is InChI=1S/C17H27FO5/c1-6-10-22-15(7-2)16(23-13-21-12-11-20-5)14(18)8-9-17(3,4)19/h6,15,19H,1,7,10-13H2,2-5H3/b16-14+.
What are the key properties of (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol?
(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol has a molecular weight of 330.40 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol is sourced from PubChem (CID 23242480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).