ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate

C24H26O5 — CID 10475728

IUPACethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate
SMILESCCOC(=O)[C@@]12CCC[C@]1(OC(C)=O)OC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C24H26O5/c1-3-27-21(26)22-15-10-16-24(22,28-18(2)25)29-23(17-22,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14H,3,10,15-17H2,1-2H3/t22-,24-/m0/s1
InChIKeyBTNBNHKVQCAABQ-UPVQGACJSA-N
MW394.47 g/mol
LogP4.34
Rot. Bonds5

About ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate

ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate (PubChem CID 10475728) has the molecular formula C24H26O5 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate.

Molecular Properties

Compound Nameethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate
PubChem CID10475728
Molecular FormulaC24H26O5
Molecular Weight394.47 g/mol
Exact Mass394.18
IUPAC Nameethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate
SMILESCCOC(=O)[C@@]12CCC[C@]1(OC(C)=O)OC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C24H26O5/c1-3-27-21(26)22-15-10-16-24(22,28-18(2)25)29-23(17-22,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14H,3,10,15-17H2,1-2H3/t22-,24-/m0/s1
InChIKeyBTNBNHKVQCAABQ-UPVQGACJSA-N
XLogP4.34
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate?
The IUPAC name of ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate (CID 10475728) is ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate.
What is the SMILES notation for ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate?
The canonical SMILES for ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate is CCOC(=O)[C@@]12CCC[C@]1(OC(C)=O)OC(c1ccccc1)(c1ccccc1)C2.
What is the InChIKey of ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate?
The InChIKey is BTNBNHKVQCAABQ-UPVQGACJSA-N. The full InChI is InChI=1S/C24H26O5/c1-3-27-21(26)22-15-10-16-24(22,28-18(2)25)29-23(17-22,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14H,3,10,15-17H2,1-2H3/t22-,24-/m0/s1.
What are the key properties of ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate?
ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3aR,6aR)-6a-acetyloxy-2,2-diphenyl-3,4,5,6-tetrahydrocyclopenta[b]furan-3a-carboxylate is sourced from PubChem (CID 10475728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).