(8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one

C15H20O2 — CID 139589997

IUPAC(8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
SMILESCC1=C2OCC[C@]2(C)[C@H]2CC(C)(C)C=C2C1=O
InChIInChI=1S/C15H20O2/c1-9-12(16)10-7-14(2,3)8-11(10)15(4)5-6-17-13(9)15/h7,11H,5-6,8H2,1-4H3/t11-,15+/m0/s1
InChIKeyIWCUKSMMOSRCHQ-XHDPSFHLSA-N
MW232.32 g/mol
LogP3.24
Rot. Bonds

About (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one

(8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one (PubChem CID 139589997) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one.

Molecular Properties

Compound Name(8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
PubChem CID139589997
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one
SMILESCC1=C2OCC[C@]2(C)[C@H]2CC(C)(C)C=C2C1=O
InChIInChI=1S/C15H20O2/c1-9-12(16)10-7-14(2,3)8-11(10)15(4)5-6-17-13(9)15/h7,11H,5-6,8H2,1-4H3/t11-,15+/m0/s1
InChIKeyIWCUKSMMOSRCHQ-XHDPSFHLSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
The IUPAC name of (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one (CID 139589997) is (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one.
What is the SMILES notation for (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
The canonical SMILES for (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one is CC1=C2OCC[C@]2(C)[C@H]2CC(C)(C)C=C2C1=O.
What is the InChIKey of (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
The InChIKey is IWCUKSMMOSRCHQ-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-12(16)10-7-14(2,3)8-11(10)15(4)5-6-17-13(9)15/h7,11H,5-6,8H2,1-4H3/t11-,15+/m0/s1.
What are the key properties of (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one?
(8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one has a molecular weight of 232.32 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,8bR)-4,7,7,8b-tetramethyl-1,2,8,8a-tetrahydrocyclopenta[e][1]benzofuran-5-one is sourced from PubChem (CID 139589997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).