(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan

C14H14O2 — CID 102575630

IUPAC(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan
SMILESC1=C[C@@H]2O[C@H](/C=C/c3ccccc3)C[C@@H]2O1
InChIInChI=1S/C14H14O2/c1-2-4-11(5-3-1)6-7-12-10-14-13(16-12)8-9-15-14/h1-9,12-14H,10H2/b7-6+/t12-,13+,14+/m1/s1
InChIKeySLRXPGHVVGEODU-XURUEHEKSA-N
MW214.26 g/mol
LogP2.77
Rot. Bonds2

About (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan

(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan (PubChem CID 102575630) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan
PubChem CID102575630
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan
SMILESC1=C[C@@H]2O[C@H](/C=C/c3ccccc3)C[C@@H]2O1
InChIInChI=1S/C14H14O2/c1-2-4-11(5-3-1)6-7-12-10-14-13(16-12)8-9-15-14/h1-9,12-14H,10H2/b7-6+/t12-,13+,14+/m1/s1
InChIKeySLRXPGHVVGEODU-XURUEHEKSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan with MolForge

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Related Compounds

(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
CID 102324958
(1R,5R,7R)-7-(2-phenylethenyl)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 146001300
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
(4R)-4-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyran
CID 85470685
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
(2R)-2-(2-phenylethenyl)morpholine
CID 54208083
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
(1R,3S,4R,5R,7R)-7-ethynyl-4-methyl-3-[(E)-2-phenylethenyl]-2,6-dioxabicyclo[3.2.1]octane
CID 102338797
(2R)-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 6440856
(2S)-2-[(Z)-2-phenylethenyl]-2,3-dihydropyran-6-one
CID 11229405

Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan?
The IUPAC name of (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan (CID 102575630) is (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan.
What is the SMILES notation for (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan?
The canonical SMILES for (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan is C1=C[C@@H]2O[C@H](/C=C/c3ccccc3)C[C@@H]2O1.
What is the InChIKey of (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan?
The InChIKey is SLRXPGHVVGEODU-XURUEHEKSA-N. The full InChI is InChI=1S/C14H14O2/c1-2-4-11(5-3-1)6-7-12-10-14-13(16-12)8-9-15-14/h1-9,12-14H,10H2/b7-6+/t12-,13+,14+/m1/s1.
What are the key properties of (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan?
(3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan has a molecular weight of 214.26 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-5-[(E)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[3,2-b]furan is sourced from PubChem (CID 102575630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).