6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione

C16H17ClO4 — CID 2916078

IUPAC6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione
SMILESCC1(C)C(=O)OC2(c3ccc(Cl)cc3)C1OC(=O)C2(C)C
InChIInChI=1S/C16H17ClO4/c1-14(2)11-16(21-12(14)18,15(3,4)13(19)20-11)9-5-7-10(17)8-6-9/h5-8,11H,1-4H3
InChIKeyKYZTWBUJMXVZFT-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.07
Rot. Bonds1

About 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione

6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione (PubChem CID 2916078) has the molecular formula C16H17ClO4 and a molecular weight of 308.76 g/mol. Its IUPAC name is 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione.

Molecular Properties

Compound Name6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione
PubChem CID2916078
Molecular FormulaC16H17ClO4
Molecular Weight308.76 g/mol
Exact Mass308.08
IUPAC Name6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione
SMILESCC1(C)C(=O)OC2(c3ccc(Cl)cc3)C1OC(=O)C2(C)C
InChIInChI=1S/C16H17ClO4/c1-14(2)11-16(21-12(14)18,15(3,4)13(19)20-11)9-5-7-10(17)8-6-9/h5-8,11H,1-4H3
InChIKeyKYZTWBUJMXVZFT-UHFFFAOYSA-N
XLogP3.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione?
The IUPAC name of 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione (CID 2916078) is 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione.
What is the SMILES notation for 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione?
The canonical SMILES for 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione is CC1(C)C(=O)OC2(c3ccc(Cl)cc3)C1OC(=O)C2(C)C.
What is the InChIKey of 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione?
The InChIKey is KYZTWBUJMXVZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO4/c1-14(2)11-16(21-12(14)18,15(3,4)13(19)20-11)9-5-7-10(17)8-6-9/h5-8,11H,1-4H3.
What are the key properties of 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione?
6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione has a molecular weight of 308.76 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(4-chlorophenyl)-3,3,6,6-tetramethyl-3aH-furo[3,2-b]furan-2,5-dione is sourced from PubChem (CID 2916078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).