(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan

C21H24O2 — CID 23238356

IUPAC(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCCC12O[C@@H](c3ccccc3)CC1(C)C[C@H](c1ccccc1)O2
InChIInChI=1S/C21H24O2/c1-3-21-20(2,14-18(22-21)16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-,19-,20?,21?/m1/s1
InChIKeyPECHVWGJOOGHOM-HJLBWTBNSA-N
MW308.42 g/mol
LogP5.42
Rot. Bonds3

About (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan

(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan (PubChem CID 23238356) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
PubChem CID23238356
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
SMILESCCC12O[C@@H](c3ccccc3)CC1(C)C[C@H](c1ccccc1)O2
InChIInChI=1S/C21H24O2/c1-3-21-20(2,14-18(22-21)16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-,19-,20?,21?/m1/s1
InChIKeyPECHVWGJOOGHOM-HJLBWTBNSA-N
XLogP5.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The IUPAC name of (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan (CID 23238356) is (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan.
What is the SMILES notation for (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The canonical SMILES for (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan is CCC12O[C@@H](c3ccccc3)CC1(C)C[C@H](c1ccccc1)O2.
What is the InChIKey of (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
The InChIKey is PECHVWGJOOGHOM-HJLBWTBNSA-N. The full InChI is InChI=1S/C21H24O2/c1-3-21-20(2,14-18(22-21)16-10-6-4-7-11-16)15-19(23-21)17-12-8-5-9-13-17/h4-13,18-19H,3,14-15H2,1-2H3/t18-,19-,20?,21?/m1/s1.
What are the key properties of (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan?
(2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan has a molecular weight of 308.42 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-6a-ethyl-3a-methyl-2,5-diphenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan is sourced from PubChem (CID 23238356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).