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

C18H25FO5 — CID 18597823

IUPAC(3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C18H25FO5/c1-3-12-15(20-10-13-11(2)9-14(19)21-13)16-17(22-12)24-18(23-16)7-5-4-6-8-18/h9,12,15-17H,3-8,10H2,1-2H3/t12-,15+,16-,17-/m1/s1
InChIKeyIOJMQHIKWYJEPJ-VJUNAUMWSA-N
MW340.39 g/mol
LogP3.82
Rot. Bonds4

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

(3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (PubChem CID 18597823) has the molecular formula C18H25FO5 and a molecular weight of 340.39 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].

Molecular Properties

Compound Name(3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
PubChem CID18597823
Molecular FormulaC18H25FO5
Molecular Weight340.39 g/mol
Exact Mass340.17
IUPAC Name(3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]
SMILESCC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1oc(F)cc1C
InChIInChI=1S/C18H25FO5/c1-3-12-15(20-10-13-11(2)9-14(19)21-13)16-17(22-12)24-18(23-16)7-5-4-6-8-18/h9,12,15-17H,3-8,10H2,1-2H3/t12-,15+,16-,17-/m1/s1
InChIKeyIOJMQHIKWYJEPJ-VJUNAUMWSA-N
XLogP3.82
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The IUPAC name of (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] (CID 18597823) is (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane].
What is the SMILES notation for (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The canonical SMILES for (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is CC[C@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@H]1OCc1oc(F)cc1C.
What is the InChIKey of (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
The InChIKey is IOJMQHIKWYJEPJ-VJUNAUMWSA-N. The full InChI is InChI=1S/C18H25FO5/c1-3-12-15(20-10-13-11(2)9-14(19)21-13)16-17(22-12)24-18(23-16)7-5-4-6-8-18/h9,12,15-17H,3-8,10H2,1-2H3/t12-,15+,16-,17-/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]?
(3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] has a molecular weight of 340.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-5-ethyl-6-[(5-fluoro-3-methylfuran-2-yl)methoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane] is sourced from PubChem (CID 18597823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).