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

C15H22O6 — CID 18597849

IUPAC(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-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)O[C@@H]2[C@H]1OCc1occc1OC
InChIInChI=1S/C15H22O6/c1-4-5-11-13(14-15(21-11)20-9(2)19-14)18-8-12-10(16-3)6-7-17-12/h6-7,9,11,13-15H,4-5,8H2,1-3H3/t9?,11-,13+,14-,15+/m1/s1
InChIKeyYGXIHXPNCAAIGE-PPKMCDRKSA-N
MW298.33 g/mol
LogP2.46
Rot. Bonds6

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

(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 18597849) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is (3aR,5R,6S,6aR)-6-[(3-methoxyfuran-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)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID18597849
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-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)O[C@@H]2[C@H]1OCc1occc1OC
InChIInChI=1S/C15H22O6/c1-4-5-11-13(14-15(21-11)20-9(2)19-14)18-8-12-10(16-3)6-7-17-12/h6-7,9,11,13-15H,4-5,8H2,1-3H3/t9?,11-,13+,14-,15+/m1/s1
InChIKeyYGXIHXPNCAAIGE-PPKMCDRKSA-N
XLogP2.46
TPSA59.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,5R,6S,6aR)-6-[(3-methoxyfuran-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)-6-[(3-methoxyfuran-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)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 18597849) is (3aR,5R,6S,6aR)-6-[(3-methoxyfuran-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)-6-[(3-methoxyfuran-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)-6-[(3-methoxyfuran-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)O[C@@H]2[C@H]1OCc1occc1OC.
What is the InChIKey of (3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is YGXIHXPNCAAIGE-PPKMCDRKSA-N. The full InChI is InChI=1S/C15H22O6/c1-4-5-11-13(14-15(21-11)20-9(2)19-14)18-8-12-10(16-3)6-7-17-12/h6-7,9,11,13-15H,4-5,8H2,1-3H3/t9?,11-,13+,14-,15+/m1/s1.
What are the key properties of (3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 298.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6S,6aR)-6-[(3-methoxyfuran-2-yl)methoxy]-2-methyl-5-propyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 18597849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).