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

C15H29FO4 — CID 66696298

IUPAC(2R,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-FEWQNLEASA-N
MW292.39 g/mol
LogP3.09
Rot. Bonds10

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

(2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane (PubChem CID 66696298) has the molecular formula C15H29FO4 and a molecular weight of 292.39 g/mol. Its IUPAC name is (2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane.

Molecular Properties

Compound Name(2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane
PubChem CID66696298
Molecular FormulaC15H29FO4
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name(2R,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-FEWQNLEASA-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'}

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Related Compounds

(2R,3R,4R,5R)-2,3,4-trimethoxy-5-(methoxymethyl)oxolane
CID 89822483
(2R,3R,4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyl-tetrahydrofuran-3-ol
CID 57867352
(2R,3S)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 57945487
(2R,3R,4S,5R)-4-fluoro-5-methyl-2,3-di(propan-2-yloxy)oxane
CID 58351928
(2S,5S)-3-fluoro-2,4-dimethoxy-5-(methoxymethyl)oxolane
CID 59034016
(2R,5S)-5-(butoxymethyl)-3-fluoro-2-methoxyoxolane
CID 68022176
(2R,3R,4R)-3-butoxy-2-(butoxymethyl)-4-fluoro-5-methoxyoxolane
CID 68048406
(4S,5R)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-fluoromethyl]-5-methoxy-2,2-dimethyl-1,3-dioxolane
CID 68324272
(4S,5R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-fluoromethyl]-5-methoxy-2,2-dimethyl-1,3-dioxolane
CID 68330392
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 68979706
[(2R,3S,4R)-3,4,5-triacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate
CID 69911523
[(2R,3S,4R,5R)-3,4,5-triacetyloxy-2-(fluoromethyl)oxolan-2-yl]methyl acetate
CID 69911527

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
The IUPAC name of (2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane (CID 66696298) is (2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane.
What is the SMILES notation for (2R,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
The canonical SMILES for (2R,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,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
The InChIKey is GMPXFFXZPUARPN-FEWQNLEASA-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,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane?
(2R,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,5R)-4-butoxy-5-(butoxymethyl)-3-fluoro-2-methoxy-3-methyloxolane is sourced from PubChem (CID 66696298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).