(3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C17H25FO5 — CID 18597788

IUPAC(3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(CC)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C17H25FO5/c1-5-7-11-14(19-9-12-10(3)8-13(18)20-12)15-16(21-11)23-17(4,6-2)22-15/h8,11,14-16H,5-7,9H2,1-4H3/t11-,14+,15-,16-,17?/m1/s1
InChIKeyLOXDUQXMJKRALV-NOLFWGJFSA-N
MW328.38 g/mol
LogP3.68
Rot. Bonds6

About (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597788) has the molecular formula C17H25FO5 and a molecular weight of 328.38 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597788
Molecular FormulaC17H25FO5
Molecular Weight328.38 g/mol
Exact Mass328.17
IUPAC Name(3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCC[C@H]1O[C@@H]2OC(C)(CC)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C17H25FO5/c1-5-7-11-14(19-9-12-10(3)8-13(18)20-12)15-16(21-11)23-17(4,6-2)22-15/h8,11,14-16H,5-7,9H2,1-4H3/t11-,14+,15-,16-,17?/m1/s1
InChIKeyLOXDUQXMJKRALV-NOLFWGJFSA-N
XLogP3.68
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597788) is (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCC[C@H]1O[C@@H]2OC(C)(CC)O[C@@H]2[C@H]1OCc1oc(F)cc1C.
What is the InChIKey of (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is LOXDUQXMJKRALV-NOLFWGJFSA-N. The full InChI is InChI=1S/C17H25FO5/c1-5-7-11-14(19-9-12-10(3)8-13(18)20-12)15-16(21-11)23-17(4,6-2)22-15/h8,11,14-16H,5-7,9H2,1-4H3/t11-,14+,15-,16-,17?/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 328.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-2-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).