(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C24H26O2 — CID 170021555

IUPAC(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCc1ccc(C=C[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H26O2/c1-17-3-7-19(8-4-17)11-13-21-15-25-24-22(16-26-23(21)24)14-12-20-9-5-18(2)6-10-20/h3-14,21-24H,15-16H2,1-2H3/t21-,22-,23-,24-/m1/s1
InChIKeyLTWYPIBQYQHSHH-MOUTVQLLSA-N
MW346.47 g/mol
LogP5.06
Rot. Bonds4

About (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 170021555) has the molecular formula C24H26O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID170021555
Molecular FormulaC24H26O2
Molecular Weight346.47 g/mol
Exact Mass346.19
IUPAC Name(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCc1ccc(C=C[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3C=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C24H26O2/c1-17-3-7-19(8-4-17)11-13-21-15-25-24-22(16-26-23(21)24)14-12-20-9-5-18(2)6-10-20/h3-14,21-24H,15-16H2,1-2H3/t21-,22-,23-,24-/m1/s1
InChIKeyLTWYPIBQYQHSHH-MOUTVQLLSA-N
XLogP5.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 170021555) is (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is Cc1ccc(C=C[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3C=Cc2ccc(C)cc2)cc1.
What is the InChIKey of (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is LTWYPIBQYQHSHH-MOUTVQLLSA-N. The full InChI is InChI=1S/C24H26O2/c1-17-3-7-19(8-4-17)11-13-21-15-25-24-22(16-26-23(21)24)14-12-20-9-5-18(2)6-10-20/h3-14,21-24H,15-16H2,1-2H3/t21-,22-,23-,24-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 346.47 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-3,6-bis[2-(4-methylphenyl)ethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 170021555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).