3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one

C21H33FO4 — CID 57024148

IUPAC3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCCCC[C@@H](F)CC=C(OC1CCCCO1)C12CCCC1(C)OC(=O)C2
InChIInChI=1S/C21H33FO4/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/h11,16,19H,3-10,12-15H2,1-2H3/t16-,19?,20?,21?/m1/s1
InChIKeyMTQOJLZPZRMDHH-SJFWKDOISA-N
MW368.49 g/mol
LogP5.21
Rot. Bonds8

About 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one

3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 57024148) has the molecular formula C21H33FO4 and a molecular weight of 368.49 g/mol. Its IUPAC name is 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
PubChem CID57024148
Molecular FormulaC21H33FO4
Molecular Weight368.49 g/mol
Exact Mass368.24
IUPAC Name3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCCCC[C@@H](F)CC=C(OC1CCCCO1)C12CCCC1(C)OC(=O)C2
InChIInChI=1S/C21H33FO4/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/h11,16,19H,3-10,12-15H2,1-2H3/t16-,19?,20?,21?/m1/s1
InChIKeyMTQOJLZPZRMDHH-SJFWKDOISA-N
XLogP5.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.49
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R,3R)-2-[(E)-4-methyl-1-(oxan-2-yloxy)oct-1-enyl]-3-(oxan-2-yloxy)-5-oxocyclopentylidene]acetic acid
CID 70489632
2-[(2R)-oxan-2-yl]oxyhexanoic acid
CID 101196631
3-(oxan-2-yloxy)tetradec-2-enal
CID 173358094
(4R)-4-(oxan-2-yloxy)nonanal
CID 54007361
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
oxan-2-yl octanoate
CID 23405562
oxan-2-yl 2-tert-butylpentanoate
CID 123458101
2-hept-1-en-3-yloxyoxane
CID 20796050
2-[(E)-1-iodo-3-(2-methylspiro[3.3]heptan-2-yl)prop-1-enoxy]oxane
CID 88809531
2-(1-iodonon-2-en-2-yloxy)oxane
CID 57013558
oxan-2-yl butanoate
CID 14932559
N-(oxan-2-yloxy)hexanamide
CID 142707517

Frequently Asked Questions

What is the IUPAC name of 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one (CID 57024148) is 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one is CCCC[C@@H](F)CC=C(OC1CCCCO1)C12CCCC1(C)OC(=O)C2.
What is the InChIKey of 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is MTQOJLZPZRMDHH-SJFWKDOISA-N. The full InChI is InChI=1S/C21H33FO4/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/h11,16,19H,3-10,12-15H2,1-2H3/t16-,19?,20?,21?/m1/s1.
What are the key properties of 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 368.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-[(4R)-4-fluoro-1-(oxan-2-yloxy)oct-1-enyl]-6a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 57024148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).