(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol

C15H23FO5 — CID 23242481

IUPAC(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol
SMILESC=CCOC(CC)/C(OCOCCOC)=C(\F)C#CCO
InChIInChI=1S/C15H23FO5/c1-4-9-20-14(5-2)15(13(16)7-6-8-17)21-12-19-11-10-18-3/h4,14,17H,1,5,8-12H2,2-3H3/b15-13+
InChIKeyPGKLZJROAFYCAQ-FYWRMAATSA-N
MW302.34 g/mol
LogP1.78
Rot. Bonds11

About (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol

(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol (PubChem CID 23242481) has the molecular formula C15H23FO5 and a molecular weight of 302.34 g/mol. Its IUPAC name is (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol.

Molecular Properties

Compound Name(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol
PubChem CID23242481
Molecular FormulaC15H23FO5
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol
SMILESC=CCOC(CC)/C(OCOCCOC)=C(\F)C#CCO
InChIInChI=1S/C15H23FO5/c1-4-9-20-14(5-2)15(13(16)7-6-8-17)21-12-19-11-10-18-3/h4,14,17H,1,5,8-12H2,2-3H3/b15-13+
InChIKeyPGKLZJROAFYCAQ-FYWRMAATSA-N
XLogP1.78
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.78
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'}

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Related Compounds

(E)-2-fluoro-3-(2-methoxyethoxymethoxy)-4-prop-2-enoxyhex-2-ene
CID 21597264
(3E)-3-fluoro-4-(2-methoxyethoxymethoxy)-5-prop-2-enoxyhepta-1,3-diene
CID 23242478
(E)-5-fluoro-4-(2-methoxyethoxymethoxy)-3-prop-2-enoxydodec-4-en-6-yne
CID 23242479
(E)-5-fluoro-6-(2-methoxyethoxymethoxy)-2-methyl-7-prop-2-enoxynon-5-en-3-yn-2-ol
CID 23242480
(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
(6-pent-1-yn-3-yloxy-3,6-dihydro-2H-pyran-2-yl)methoxymethanol
CID 143081094

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol?
The IUPAC name of (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol (CID 23242481) is (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol.
What is the SMILES notation for (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol?
The canonical SMILES for (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol is C=CCOC(CC)/C(OCOCCOC)=C(\F)C#CCO.
What is the InChIKey of (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol?
The InChIKey is PGKLZJROAFYCAQ-FYWRMAATSA-N. The full InChI is InChI=1S/C15H23FO5/c1-4-9-20-14(5-2)15(13(16)7-6-8-17)21-12-19-11-10-18-3/h4,14,17H,1,5,8-12H2,2-3H3/b15-13+.
What are the key properties of (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol?
(E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol has a molecular weight of 302.34 g/mol, XLogP of 1.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-5-(2-methoxyethoxymethoxy)-6-prop-2-enoxyoct-4-en-2-yn-1-ol is sourced from PubChem (CID 23242481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).