(4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol

C21H35FO4 — CID 57300038

IUPAC(4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC12CC[C@H](C=CCCCCCCF)C1(OC1CCCCO1)CC(O)O2
InChIInChI=1S/C21H35FO4/c1-20-13-12-17(10-6-4-2-3-5-8-14-22)21(20,16-18(23)25-20)26-19-11-7-9-15-24-19/h6,10,17-19,23H,2-5,7-9,11-16H2,1H3/t17-,18?,19?,20?,21?/m0/s1
InChIKeyCUGMBOHSGQVHRT-OXAFFQKASA-N
MW370.51 g/mol
LogP4.65
Rot. Bonds9

About (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol

(4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol (PubChem CID 57300038) has the molecular formula C21H35FO4 and a molecular weight of 370.51 g/mol. Its IUPAC name is (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol.

Molecular Properties

Compound Name(4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol
PubChem CID57300038
Molecular FormulaC21H35FO4
Molecular Weight370.51 g/mol
Exact Mass370.25
IUPAC Name(4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol
SMILESCC12CC[C@H](C=CCCCCCCF)C1(OC1CCCCO1)CC(O)O2
InChIInChI=1S/C21H35FO4/c1-20-13-12-17(10-6-4-2-3-5-8-14-22)21(20,16-18(23)25-20)26-19-11-7-9-15-24-19/h6,10,17-19,23H,2-5,7-9,11-16H2,1H3/t17-,18?,19?,20?,21?/m0/s1
InChIKeyCUGMBOHSGQVHRT-OXAFFQKASA-N
XLogP4.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
The IUPAC name of (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol (CID 57300038) is (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol.
What is the SMILES notation for (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
The canonical SMILES for (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol is CC12CC[C@H](C=CCCCCCCF)C1(OC1CCCCO1)CC(O)O2.
What is the InChIKey of (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
The InChIKey is CUGMBOHSGQVHRT-OXAFFQKASA-N. The full InChI is InChI=1S/C21H35FO4/c1-20-13-12-17(10-6-4-2-3-5-8-14-22)21(20,16-18(23)25-20)26-19-11-7-9-15-24-19/h6,10,17-19,23H,2-5,7-9,11-16H2,1H3/t17-,18?,19?,20?,21?/m0/s1.
What are the key properties of (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol?
(4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol has a molecular weight of 370.51 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(8-fluorooct-1-enyl)-6a-methyl-3a-(oxan-2-yloxy)-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-2-ol is sourced from PubChem (CID 57300038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).