methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate

C15H27FO4 — CID 58083956

IUPACmethyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
SMILESCC[C@H](F)[C@@H](C)C1O[C@](OC)(C(=O)OC)C[C@H](C)[C@H]1C
InChIInChI=1S/C15H27FO4/c1-7-12(16)11(4)13-10(3)9(2)8-15(19-6,20-13)14(17)18-5/h9-13H,7-8H2,1-6H3/t9-,10+,11+,12-,13?,15-/m0/s1
InChIKeyHAOWOYOVXIWYBP-CYFZXSMXSA-N
MW290.38 g/mol
LogP2.95
Rot. Bonds5

About methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate

methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate (PubChem CID 58083956) has the molecular formula C15H27FO4 and a molecular weight of 290.38 g/mol. Its IUPAC name is methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
PubChem CID58083956
Molecular FormulaC15H27FO4
Molecular Weight290.38 g/mol
Exact Mass290.19
IUPAC Namemethyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
SMILESCC[C@H](F)[C@@H](C)C1O[C@](OC)(C(=O)OC)C[C@H](C)[C@H]1C
InChIInChI=1S/C15H27FO4/c1-7-12(16)11(4)13-10(3)9(2)8-15(19-6,20-13)14(17)18-5/h9-13H,7-8H2,1-6H3/t9-,10+,11+,12-,13?,15-/m0/s1
InChIKeyHAOWOYOVXIWYBP-CYFZXSMXSA-N
XLogP2.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate 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

methyl (2S,4R,5R)-6-[(2S,3R)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
CID 68028301
methyl (2R,4S,5R)-6-[(1R,2R)-1,2-diacetyloxybutyl]-3-fluoro-2-hydroxy-4,5-dimethyloxane-2-carboxylate
CID 68152535
methyl (2S,4R,5R)-6-[(2R)-1-acetyloxypropan-2-yl]-2-fluoro-4,5-dimethyloxane-2-carboxylate
CID 90352397
Methyl 2,4-diacetyloxy-3-fluoro-5-methyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
CID 90788373
Methyl 2-acetyloxy-3-fluoro-5-methyl-6-(1,2,3-triacetyloxypropyl)oxane-2-carboxylate
CID 91589603
methyl 2-acetyloxy-6-[(1R,2R)-1,2-diacetyloxybutyl]-3-fluoro-4,5-dimethyloxane-2-carboxylate
CID 118300215
methyl 6-[(1R,2R)-1,2-diacetyloxybutyl]-3-fluoro-2-hydroxy-4,5-dimethyloxane-2-carboxylate
CID 118300216
methyl 6-[(1R,2R)-1,2-diacetyloxybutyl]-2,3-difluoro-4,5-dimethyloxane-2-carboxylate
CID 118300218
methyl (2S,4S,5R)-6-[(2R,3R)-3-acetyloxypentan-2-yl]-2,3-difluoro-4,5-dimethyloxane-2-carboxylate
CID 118477797
methyl (2R,4S,5R)-6-[(2R,3R)-3-acetyloxypentan-2-yl]-2,3-difluoro-4,5-dimethyloxane-2-carboxylate
CID 118477805
methyl (2R,4S,5R)-6-[(2R,3R)-3-acetyloxypentan-2-yl]-3-fluoro-2-hydroxy-4,5-dimethyloxane-2-carboxylate
CID 118477806
ethyl 6-[(1R,2R)-1,2-diacetyloxybutyl]-2,3-difluoro-4,5-dimethyloxane-2-carboxylate
CID 118920793

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
The IUPAC name of methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate (CID 58083956) is methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate.
What is the SMILES notation for methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
The canonical SMILES for methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate is CC[C@H](F)[C@@H](C)C1O[C@](OC)(C(=O)OC)C[C@H](C)[C@H]1C.
What is the InChIKey of methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
The InChIKey is HAOWOYOVXIWYBP-CYFZXSMXSA-N. The full InChI is InChI=1S/C15H27FO4/c1-7-12(16)11(4)13-10(3)9(2)8-15(19-6,20-13)14(17)18-5/h9-13H,7-8H2,1-6H3/t9-,10+,11+,12-,13?,15-/m0/s1.
What are the key properties of methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate?
methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate has a molecular weight of 290.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate is sourced from PubChem (CID 58083956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).