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

C22H22O2 — CID 170021549

IUPAC(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC(=C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-3-7-17(8-4-1)11-13-19-15-23-22-20(16-24-21(19)22)14-12-18-9-5-2-6-10-18/h1-14,19-22H,15-16H2/t19-,20+,21-,22-/m1/s1
InChIKeyAAMBOZQILHRTOM-CIAFKFPVSA-N
MW318.42 g/mol
LogP4.44
Rot. Bonds4

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

(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 170021549) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID170021549
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC(=C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H22O2/c1-3-7-17(8-4-1)11-13-19-15-23-22-20(16-24-21(19)22)14-12-18-9-5-2-6-10-18/h1-14,19-22H,15-16H2/t19-,20+,21-,22-/m1/s1
InChIKeyAAMBOZQILHRTOM-CIAFKFPVSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021555
(3S,3aR,6R,6aR)-3,6-bis[2-(4-prop-1-en-2-ylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021539
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(2R,4R)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 92532420
(2S,4S)-4-(chloromethyl)-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 93475636

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 170021549) is (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C(=C[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2C=Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is AAMBOZQILHRTOM-CIAFKFPVSA-N. The full InChI is InChI=1S/C22H22O2/c1-3-7-17(8-4-1)11-13-19-15-23-22-20(16-24-21(19)22)14-12-18-9-5-2-6-10-18/h1-14,19-22H,15-16H2/t19-,20+,21-,22-/m1/s1.
What are the key properties of (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 318.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 170021549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).