(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione

C19H24O4 — CID 171352579

IUPAC(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione
SMILESCC1=C2C=C3CC[C@@H]4C(C)(C)OC(=O)C[C@@]4(C)[C@@H]3C[C@H]2OC1=O
InChIInChI=1S/C19H24O4/c1-10-12-7-11-5-6-15-18(2,3)23-16(20)9-19(15,4)13(11)8-14(12)22-17(10)21/h7,13-15H,5-6,8-9H2,1-4H3/t13-,14-,15-,19+/m1/s1
InChIKeyGUIRZKQLTCBGMC-GPINWOSQSA-N
MW316.40 g/mol
LogP3.32
Rot. Bonds

About (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione

(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione (PubChem CID 171352579) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione.

Molecular Properties

Compound Name(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione
PubChem CID171352579
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione
SMILESCC1=C2C=C3CC[C@@H]4C(C)(C)OC(=O)C[C@@]4(C)[C@@H]3C[C@H]2OC1=O
InChIInChI=1S/C19H24O4/c1-10-12-7-11-5-6-15-18(2,3)23-16(20)9-19(15,4)13(11)8-14(12)22-17(10)21/h7,13-15H,5-6,8-9H2,1-4H3/t13-,14-,15-,19+/m1/s1
InChIKeyGUIRZKQLTCBGMC-GPINWOSQSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione?
The IUPAC name of (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione (CID 171352579) is (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione.
What is the SMILES notation for (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione?
The canonical SMILES for (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione is CC1=C2C=C3CC[C@@H]4C(C)(C)OC(=O)C[C@@]4(C)[C@@H]3C[C@H]2OC1=O.
What is the InChIKey of (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione?
The InChIKey is GUIRZKQLTCBGMC-GPINWOSQSA-N. The full InChI is InChI=1S/C19H24O4/c1-10-12-7-11-5-6-15-18(2,3)23-16(20)9-19(15,4)13(11)8-14(12)22-17(10)21/h7,13-15H,5-6,8-9H2,1-4H3/t13-,14-,15-,19+/m1/s1.
What are the key properties of (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione?
(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione has a molecular weight of 316.40 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-4a,5,6,10a,11,11a-hexahydro-1H-[1]benzofuro[6,5-f]isochromene-2,9-dione is sourced from PubChem (CID 171352579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).