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

C21H35FO4 — CID 70598927

IUPAC(3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCC[C@@H](F)CC=C(OC1CCCCO1)[C@@]12CCC[C@@]1(C)OC(O)C2
InChIInChI=1S/C21H35FO4/c1-3-4-8-16(22)10-11-17(25-19-9-5-6-14-24-19)21-13-7-12-20(21,2)26-18(23)15-21/h11,16,18-19,23H,3-10,12-15H2,1-2H3/t16-,18?,19?,20-,21+/m1/s1
InChIKeyFYYHMUQMPUMARE-PATRTNIUSA-N
MW370.51 g/mol
LogP5.00
Rot. Bonds8

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

(3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 70598927) has the molecular formula C21H35FO4 and a molecular weight of 370.51 g/mol. Its IUPAC name is (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID70598927
Molecular FormulaC21H35FO4
Molecular Weight370.51 g/mol
Exact Mass370.25
IUPAC Name(3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol
SMILESCCCC[C@@H](F)CC=C(OC1CCCCO1)[C@@]12CCC[C@@]1(C)OC(O)C2
InChIInChI=1S/C21H35FO4/c1-3-4-8-16(22)10-11-17(25-19-9-5-6-14-24-19)21-13-7-12-20(21,2)26-18(23)15-21/h11,16,18-19,23H,3-10,12-15H2,1-2H3/t16-,18?,19?,20-,21+/m1/s1
InChIKeyFYYHMUQMPUMARE-PATRTNIUSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol (CID 70598927) is (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol is CCCC[C@@H](F)CC=C(OC1CCCCO1)[C@@]12CCC[C@@]1(C)OC(O)C2.
What is the InChIKey of (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is FYYHMUQMPUMARE-PATRTNIUSA-N. The full InChI is InChI=1S/C21H35FO4/c1-3-4-8-16(22)10-11-17(25-19-9-5-6-14-24-19)21-13-7-12-20(21,2)26-18(23)15-21/h11,16,18-19,23H,3-10,12-15H2,1-2H3/t16-,18?,19?,20-,21+/m1/s1.
What are the key properties of (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
(3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 370.51 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 70598927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).