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

C12H22O4 — CID 163360488

IUPAC(3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCO[C@H]1CO[C@H]2[C@H]1OC[C@@H]2OCCC
InChIInChI=1S/C12H22O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12+/m0/s1
InChIKeyQMSQLXJHBCGUAJ-FIQHERPVSA-N
MW230.30 g/mol
LogP1.37
Rot. Bonds6

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

(3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 163360488) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID163360488
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name(3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCCO[C@H]1CO[C@H]2[C@H]1OC[C@@H]2OCCC
InChIInChI=1S/C12H22O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12+/m0/s1
InChIKeyQMSQLXJHBCGUAJ-FIQHERPVSA-N
XLogP1.37
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 163360488) is (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCCO[C@H]1CO[C@H]2[C@H]1OC[C@@H]2OCCC.
What is the InChIKey of (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is QMSQLXJHBCGUAJ-FIQHERPVSA-N. The full InChI is InChI=1S/C12H22O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h9-12H,3-8H2,1-2H3/t9-,10-,11-,12+/m0/s1.
What are the key properties of (3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6S,6aS)-3,6-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 230.30 g/mol, XLogP of 1.37, 6 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-dipropoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 163360488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).