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

C14H26O4 — CID 139315398

IUPAC(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)(C)O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(C)(C)C
InChIInChI=1S/C14H26O4/c1-13(2,3)17-9-7-15-12-10(8-16-11(9)12)18-14(4,5)6/h9-12H,7-8H2,1-6H3/t9-,10-,11+,12+/m0/s1
InChIKeyFGSLSAHHYSIVFG-NNYUYHANSA-N
MW258.36 g/mol
LogP2.15
Rot. Bonds2

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

(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 139315398) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID139315398
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCC(C)(C)O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(C)(C)C
InChIInChI=1S/C14H26O4/c1-13(2,3)17-9-7-15-12-10(8-16-11(9)12)18-14(4,5)6/h9-12H,7-8H2,1-6H3/t9-,10-,11+,12+/m0/s1
InChIKeyFGSLSAHHYSIVFG-NNYUYHANSA-N
XLogP2.15
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (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) is (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CC(C)(C)O[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(C)(C)C.
What is the InChIKey of (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is FGSLSAHHYSIVFG-NNYUYHANSA-N. The full InChI is InChI=1S/C14H26O4/c1-13(2,3)17-9-7-15-12-10(8-16-11(9)12)18-14(4,5)6/h9-12H,7-8H2,1-6H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 258.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6S,6aR)-3,6-bis[(2-methylpropan-2-yl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 139315398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).