(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C10H14O4 — CID 66760273

IUPAC(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC=C
InChIInChI=1S/C10H14O4/c1-3-11-7-5-13-10-8(12-4-2)6-14-9(7)10/h3-4,7-10H,1-2,5-6H2/t7-,8+,9-,10-/m1/s1
InChIKeyHZOGFLPBYPXACG-UTINFBMNSA-N
MW198.22 g/mol
LogP0.84
Rot. Bonds4

About (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 66760273) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID66760273
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC=C
InChIInChI=1S/C10H14O4/c1-3-11-7-5-13-10-8(12-4-2)6-14-9(7)10/h3-4,7-10H,1-2,5-6H2/t7-,8+,9-,10-/m1/s1
InChIKeyHZOGFLPBYPXACG-UTINFBMNSA-N
XLogP0.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

Dimethyl Isosorbide
CID 62990
1,4:3,6-Dianhydro-2,5-di-O-methylhexitol
CID 237322
(3R,3aR,6S,6aR)-3,6-Diethoxyhexahydrofuro[3,2-b]furan
CID 68725869
1,4:3,6-Dianhydro-2,5-di-O-propyl-D-glucitol
CID 101525980
3,6-Bis[(propan-2-yl)oxy]hexahydrofuro[3,2-b]furan
CID 139314234
3,6-Bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21365476
(3aR,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59701648
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-(1-methylpropyl)-
CID 163360483
D-Glucitol, 1,4:3,6-dianhydro-2,5-bis-O-(1-methylethyl)-
CID 163360486
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-butyl-
CID 163360487
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-propyl-
CID 163360488
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-ethyl-
CID 163360489

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 66760273) is (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C=CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC=C.
What is the InChIKey of (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is HZOGFLPBYPXACG-UTINFBMNSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-11-7-5-13-10-8(12-4-2)6-14-9(7)10/h3-4,7-10H,1-2,5-6H2/t7-,8+,9-,10-/m1/s1.
What are the key properties of (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 198.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 66760273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).