2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane

C19H33FO2 — CID 59065318

IUPAC2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane
SMILESCCCC/C=C\C[C@@H]1[C@@H](CC)[C@@H](F)C[C@@H]1OC1CCCCO1
InChIInChI=1S/C19H33FO2/c1-3-5-6-7-8-11-16-15(4-2)17(20)14-18(16)22-19-12-9-10-13-21-19/h7-8,15-19H,3-6,9-14H2,1-2H3/b8-7-/t15-,16-,17+,18+,19?/m1/s1
InChIKeyQSGRYDKAMZVCST-YLXDQGDMSA-N
MW312.47 g/mol
LogP5.42
Rot. Bonds8

About 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane

2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane (PubChem CID 59065318) has the molecular formula C19H33FO2 and a molecular weight of 312.47 g/mol. Its IUPAC name is 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane.

Molecular Properties

Compound Name2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane
PubChem CID59065318
Molecular FormulaC19H33FO2
Molecular Weight312.47 g/mol
Exact Mass312.25
IUPAC Name2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane
SMILESCCCC/C=C\C[C@@H]1[C@@H](CC)[C@@H](F)C[C@@H]1OC1CCCCO1
InChIInChI=1S/C19H33FO2/c1-3-5-6-7-8-11-16-15(4-2)17(20)14-18(16)22-19-12-9-10-13-21-19/h7-8,15-19H,3-6,9-14H2,1-2H3/b8-7-/t15-,16-,17+,18+,19?/m1/s1
InChIKeyQSGRYDKAMZVCST-YLXDQGDMSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane with MolForge

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Launch Full Analysis

Related Compounds

[(1S,2R,3S,5S)-5-fluoro-2-[(Z)-hept-2-enyl]-3-(oxan-2-yloxy)cyclopentyl]methanol
CID 59065314
2-[(1R,2R,3R,4R)-2-[(1E,3S)-4,7-dimethyl-3-(oxan-2-yloxy)octa-1,6-dienyl]-4-fluoro-3-heptylcyclopentyl]oxyoxane
CID 70363413
propyl (Z)-7-[(1R,2R,3S,5S)-2-ethyl-3-fluoro-5-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 91182440
[(1R,2S,3R)-3-ethenyl-2-[(Z)-5-(oxan-2-yloxy)pent-2-enyl]cyclopentyl]oxy-triethylsilane
CID 16071945
2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
CID 134849756
2-(1,2,3,3a,4,6a-Hexahydropentalen-2-yloxy)oxane
CID 20079756
(1S,2R,3S)-3-(4,4-dimethyloctyl)-2-[7-[(2R)-oxan-2-yl]oxyhept-2-enyl]cyclopentan-1-ol
CID 56636860
(1S,2R,3R,4R)-3-dec-1-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol
CID 57074787
(1S,2R,3R,4R)-3-dec-3-enyl-2-hept-2-enyl-4-(oxan-2-yloxy)cyclopentan-1-ol
CID 57298929
2-[(E,2R,3R)-2,3-dimethyloctadec-4-enoxy]-6-ethyl-3,4,5-trimethyloxane
CID 57679898
2-ethyl-3,4,5-trimethyl-6-[(E,2R,3R,4R)-2,3,4-trimethyloctadec-6-enoxy]oxane
CID 57679902
2-ethyl-3,4,5-trimethyl-6-[(2R,3R,4R)-2,3,4-trimethyloctadec-6-enoxy]oxane
CID 67474998

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane?
The IUPAC name of 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane (CID 59065318) is 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane.
What is the SMILES notation for 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane?
The canonical SMILES for 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane is CCCC/C=C\C[C@@H]1[C@@H](CC)[C@@H](F)C[C@@H]1OC1CCCCO1.
What is the InChIKey of 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane?
The InChIKey is QSGRYDKAMZVCST-YLXDQGDMSA-N. The full InChI is InChI=1S/C19H33FO2/c1-3-5-6-7-8-11-16-15(4-2)17(20)14-18(16)22-19-12-9-10-13-21-19/h7-8,15-19H,3-6,9-14H2,1-2H3/b8-7-/t15-,16-,17+,18+,19?/m1/s1.
What are the key properties of 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane?
2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane has a molecular weight of 312.47 g/mol, XLogP of 5.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,3R,4S)-3-ethyl-4-fluoro-2-[(Z)-hept-2-enyl]cyclopentyl]oxyoxane is sourced from PubChem (CID 59065318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).