6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol

C21H35FO4 — CID 56996646

IUPAC6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol
SMILESCCCC[C@](C)(F)CC=C(OC1CCCCO1)C12CCCC1CC(O)O2
InChIInChI=1S/C21H35FO4/c1-3-4-11-20(2,22)13-10-17(25-19-9-5-6-14-24-19)21-12-7-8-16(21)15-18(23)26-21/h10,16,18-19,23H,3-9,11-15H2,1-2H3/t16?,18?,19?,20-,21?/m0/s1
InChIKeyONYRJTODOPWEEJ-IIDKFEAHSA-N
MW370.51 g/mol
LogP5.00
Rot. Bonds8

About 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol

6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol (PubChem CID 56996646) has the molecular formula C21H35FO4 and a molecular weight of 370.51 g/mol. Its IUPAC name is 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol
PubChem CID56996646
Molecular FormulaC21H35FO4
Molecular Weight370.51 g/mol
Exact Mass370.25
IUPAC Name6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol
SMILESCCCC[C@](C)(F)CC=C(OC1CCCCO1)C12CCCC1CC(O)O2
InChIInChI=1S/C21H35FO4/c1-3-4-11-20(2,22)13-10-17(25-19-9-5-6-14-24-19)21-12-7-8-16(21)15-18(23)26-21/h10,16,18-19,23H,3-9,11-15H2,1-2H3/t16?,18?,19?,20-,21?/m0/s1
InChIKeyONYRJTODOPWEEJ-IIDKFEAHSA-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 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(3aR,4S,6aR)-4-[4-methyl-1-(oxan-2-yloxy)-4-(trifluoromethyl)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 70558780
2-(4-methyloct-1-en-4-yloxy)oxane
CID 15877491
(E,2R)-2-cyclopentyl-2-[(Z)-5-hydroxypent-3-enyl]-6-methyl-3-(oxan-2-yloxy)-6-(trifluoromethyl)dec-3-enoic acid
CID 70558479
2-(1-iodonon-2-en-2-yloxy)oxane
CID 57013558
4-[1-methoxy-5,5-dimethyl-3-(oxan-2-yloxy)non-2-enyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 54336157
3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
CID 57024148
2-(4,4-difluoro-3-hydroxyoctyl)-6a-(oxan-2-yloxy)-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-ol
CID 151150447
2-(2,2-dimethylhexoxy)oxane;ethane
CID 142212056
2-[(E)-1-iodo-5,5-dimethyloct-1-enoxy]oxane
CID 88618382
oxan-2-yl octanoate
CID 23405562
2-(4,4-dimethyloct-1-en-3-yloxy)oxane
CID 139643960
oxan-2-yl butanoate
CID 14932559

Frequently Asked Questions

What is the IUPAC name of 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol?
The IUPAC name of 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol (CID 56996646) is 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol.
What is the SMILES notation for 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol?
The canonical SMILES for 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol is CCCC[C@](C)(F)CC=C(OC1CCCCO1)C12CCCC1CC(O)O2.
What is the InChIKey of 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol?
The InChIKey is ONYRJTODOPWEEJ-IIDKFEAHSA-N. The full InChI is InChI=1S/C21H35FO4/c1-3-4-11-20(2,22)13-10-17(25-19-9-5-6-14-24-19)21-12-7-8-16(21)15-18(23)26-21/h10,16,18-19,23H,3-9,11-15H2,1-2H3/t16?,18?,19?,20-,21?/m0/s1.
What are the key properties of 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol?
6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[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 6a-[(4S)-4-fluoro-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan-2-ol is sourced from PubChem (CID 56996646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).