(3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H22O4 — CID 163360486

IUPAC(3S,3aR,6S,6aS)-3,6-di(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
InChIInChI=1S/C12H22O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3/t9-,10-,11-,12+/m0/s1
InChIKeyADJOFKQEIQPYRI-FIQHERPVSA-N
MW230.30 g/mol
LogP1.37
Rot. Bonds4

About (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 163360486) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID163360486
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(3S,3aR,6S,6aS)-3,6-di(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
InChIInChI=1S/C12H22O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3/t9-,10-,11-,12+/m0/s1
InChIKeyADJOFKQEIQPYRI-FIQHERPVSA-N
XLogP1.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

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CID 21139666
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CID 21139668
CID 21139668
CID 288212
CID 288212
CID 114445
CID 114445
CID 237322
CID 237322
CID 13965421
CID 13965421
CID 118862589
CID 118862589
CID 237324
CID 237324
CID 11770257
CID 11770257
CID 58062016
CID 58062016

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 163360486) is (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6S,6aS)-3,6-di(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.
What is the InChIKey of (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is ADJOFKQEIQPYRI-FIQHERPVSA-N. The full InChI is InChI=1S/C12H22O4/c1-7(2)15-9-5-13-12-10(16-8(3)4)6-14-11(9)12/h7-12H,5-6H2,1-4H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 230.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6S,6aS)-3,6-di(propan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 163360486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).