(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H18O4 — CID 101073734

IUPAC(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC/C=C/O[C@H]1CO[C@@H]2[C@H]1OC[C@H]2O/C=C/C
InChIInChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-6,9-12H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+,11-,12-/m0/s1
InChIKeyKYOFJYPNENAQCS-PPSWOPRMSA-N
MW226.27 g/mol
LogP1.62
Rot. Bonds4

About (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 101073734) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID101073734
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC/C=C/O[C@H]1CO[C@@H]2[C@H]1OC[C@H]2O/C=C/C
InChIInChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-6,9-12H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+,11-,12-/m0/s1
InChIKeyKYOFJYPNENAQCS-PPSWOPRMSA-N
XLogP1.62
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Related Compounds

3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan
CID 237323
(3S,3aR,6R,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 11831112
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 6392479
3,6-Bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21365476
(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 66760273
3,6-bis[(Z)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 69380630
3,6-Bis(prop-1-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 69380631
(3R,3aR,6R,6aR)-3,6-Bis(allyloxy)hexahydrofuro[3,2-b]furan
CID 90017848
(3S,3aR,6S,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90018897
3,6-Bis(prop-1-en-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90183127
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(3S,6R)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211697

Frequently Asked Questions

What is the IUPAC name of (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 101073734) is (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C/C=C/O[C@H]1CO[C@@H]2[C@H]1OC[C@H]2O/C=C/C.
What is the InChIKey of (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is KYOFJYPNENAQCS-PPSWOPRMSA-N. The full InChI is InChI=1S/C12H18O4/c1-3-5-13-9-7-15-12-10(14-6-4-2)8-16-11(9)12/h3-6,9-12H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10+,11-,12-/m0/s1.
What are the key properties of (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 226.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,6R,6aS)-3,6-bis[(E)-prop-1-enoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 101073734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).