(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane

C15H29FO4 — CID 89488799

IUPAC(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane
SMILESCCCCOC[C@H]1O[C@@H](OC)[C@](C)(F)C1OCCCC
InChIInChI=1S/C15H29FO4/c1-5-7-9-18-11-12-13(19-10-8-6-2)15(3,16)14(17-4)20-12/h12-14H,5-11H2,1-4H3/t12-,13?,14-,15-/m1/s1
InChIKeyGMPXFFXZPUARPN-RNLVXLIHSA-N
MW292.39 g/mol
LogP3.09
Rot. Bonds10

About (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane

(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane (PubChem CID 89488799) has the molecular formula C15H29FO4 and a molecular weight of 292.39 g/mol. Its IUPAC name is (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane.

Molecular Properties

Compound Name(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane
PubChem CID89488799
Molecular FormulaC15H29FO4
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane
SMILESCCCCOC[C@H]1O[C@@H](OC)[C@](C)(F)C1OCCCC
InChIInChI=1S/C15H29FO4/c1-5-7-9-18-11-12-13(19-10-8-6-2)15(3,16)14(17-4)20-12/h12-14H,5-11H2,1-4H3/t12-,13?,14-,15-/m1/s1
InChIKeyGMPXFFXZPUARPN-RNLVXLIHSA-N
XLogP3.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
The IUPAC name of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane (CID 89488799) is (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane.
What is the SMILES notation for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
The canonical SMILES for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane is CCCCOC[C@H]1O[C@@H](OC)[C@](C)(F)C1OCCCC.
What is the InChIKey of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
The InChIKey is GMPXFFXZPUARPN-RNLVXLIHSA-N. The full InChI is InChI=1S/C15H29FO4/c1-5-7-9-18-11-12-13(19-10-8-6-2)15(3,16)14(17-4)20-12/h12-14H,5-11H2,1-4H3/t12-,13?,14-,15-/m1/s1.
What are the key properties of (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
(2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane has a molecular weight of 292.39 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane is sourced from PubChem (CID 89488799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).