(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C13H24O4 — CID 139315328

IUPAC(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(C)(C)C
InChIInChI=1S/C13H24O4/c1-8(2)16-9-6-14-12-10(7-15-11(9)12)17-13(3,4)5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyYVWPPJZXIJTXMF-WRWGMCAJSA-N
MW244.33 g/mol
LogP1.76
Rot. Bonds3

About (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 139315328) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID139315328
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(C)(C)C
InChIInChI=1S/C13H24O4/c1-8(2)16-9-6-14-12-10(7-15-11(9)12)17-13(3,4)5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1
InChIKeyYVWPPJZXIJTXMF-WRWGMCAJSA-N
XLogP1.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 139315398
1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol
CID 156697359
(3S,3aR,6R,6aS)-3-(2-methylhexyl)-6-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 139523209
1-methyl-2-propan-2-yloxycyclopropane
CID 56606917
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
1-[[(3aR,6aR)-6-(2-methylbutan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-3-methylbutan-2-one
CID 158127104
trans-(1R,2R)-1,2-bis[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66800520
(2S,5R)-2-tert-butyl-3-(2-hydroxypropoxy)-5-[(2-methylpropan-2-yl)oxy]oxan-4-ol
CID 163610250
2-propan-2-yloxyoxetane
CID 123446123
(3R,3aR,6S,6aS)-6-(3,3-dimethylbutoxy)-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163610211

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 139315328) is (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(C)(C)C.
What is the InChIKey of (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is YVWPPJZXIJTXMF-WRWGMCAJSA-N. The full InChI is InChI=1S/C13H24O4/c1-8(2)16-9-6-14-12-10(7-15-11(9)12)17-13(3,4)5/h8-12H,6-7H2,1-5H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 244.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 139315328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).