4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

C21H35FO4 — CID 13245346

IUPAC4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)C(/C=C/C1C(C)CC2OC(O)CC21)OC1CCCCO1
InChIInChI=1S/C21H35FO4/c1-3-4-7-17(22)18(26-21-8-5-6-11-24-21)10-9-15-14(2)12-19-16(15)13-20(23)25-19/h9-10,14-21,23H,3-8,11-13H2,1-2H3/b10-9+
InChIKeyBXXNXXYOMNXDLV-MDZDMXLPSA-N
MW370.51 g/mol
LogP4.36
Rot. Bonds8

About 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol

4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 13245346) has the molecular formula C21H35FO4 and a molecular weight of 370.51 g/mol. Its IUPAC name is 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID13245346
Molecular FormulaC21H35FO4
Molecular Weight370.51 g/mol
Exact Mass370.25
IUPAC Name4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCCC(F)C(/C=C/C1C(C)CC2OC(O)CC21)OC1CCCCO1
InChIInChI=1S/C21H35FO4/c1-3-4-7-17(22)18(26-21-8-5-6-11-24-21)10-9-15-14(2)12-19-16(15)13-20(23)25-19/h9-10,14-21,23H,3-8,11-13H2,1-2H3/b10-9+
InChIKeyBXXNXXYOMNXDLV-MDZDMXLPSA-N
XLogP4.36
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol (CID 13245346) is 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is CCCCC(F)C(/C=C/C1C(C)CC2OC(O)CC21)OC1CCCCO1.
What is the InChIKey of 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is BXXNXXYOMNXDLV-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H35FO4/c1-3-4-7-17(22)18(26-21-8-5-6-11-24-21)10-9-15-14(2)12-19-16(15)13-20(23)25-19/h9-10,14-21,23H,3-8,11-13H2,1-2H3/b10-9+.
What are the key properties of 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol?
4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 370.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-4-fluoro-3-(oxan-2-yloxy)oct-1-enyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 13245346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).