(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole

C24H24O2 — CID 137316250

IUPAC(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole
SMILESCC1C2=C(CC=C2)[C@H](C)[C@H]2OC(c3ccccc3)(c3ccccc3)O[C@H]12
InChIInChI=1S/C24H24O2/c1-16-20-14-9-15-21(20)17(2)23-22(16)25-24(26-23,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22-23H,15H2,1-2H3/t16?,17-,22+,23+/m0/s1
InChIKeyADFHBOKAFIXFAW-AEBFXEGCSA-N
MW344.45 g/mol
LogP5.21
Rot. Bonds2

About (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole

(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole (PubChem CID 137316250) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole.

Molecular Properties

Compound Name(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole
PubChem CID137316250
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole
SMILESCC1C2=C(CC=C2)[C@H](C)[C@H]2OC(c3ccccc3)(c3ccccc3)O[C@H]12
InChIInChI=1S/C24H24O2/c1-16-20-14-9-15-21(20)17(2)23-22(16)25-24(26-23,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22-23H,15H2,1-2H3/t16?,17-,22+,23+/m0/s1
InChIKeyADFHBOKAFIXFAW-AEBFXEGCSA-N
XLogP5.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3-trimethyl-1,2,3,4-tetrahydropentalene
CID 140983961
(4S,5R)-5-methyl-2,2-diphenyl-1,3-dioxolane-4-carbonitrile
CID 71409766
(1S,4R,5S,6S)-5,6-dimethyl-1,4-diphenyl-2,3-diazabicyclo[2.2.2]oct-2-ene
CID 10708640
4-ethyl-2,2-diphenyl-1,3-dioxolane
CID 123665979
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(3aS,6aR)-5-octyl-2,2-diphenyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10785977
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
(3S,4S,5R)-4-hydroxy-3,5-dimethyl-4-phenyloxolan-2-one
CID 102254828
4-bromo-2,2-diphenyl-1,3-dioxolane
CID 175223631
3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
N-[dimethyl-(2-methylcyclopenta-1,3-dien-1-yl)silyl]aniline
CID 54172325
2,5-dimethyl-2-phenyl-1,3-dioxolan-4-one
CID 14546285

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole?
The IUPAC name of (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole (CID 137316250) is (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole.
What is the SMILES notation for (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole?
The canonical SMILES for (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole is CC1C2=C(CC=C2)[C@H](C)[C@H]2OC(c3ccccc3)(c3ccccc3)O[C@H]12.
What is the InChIKey of (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole?
The InChIKey is ADFHBOKAFIXFAW-AEBFXEGCSA-N. The full InChI is InChI=1S/C24H24O2/c1-16-20-14-9-15-21(20)17(2)23-22(16)25-24(26-23,18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-14,16-17,22-23H,15H2,1-2H3/t16?,17-,22+,23+/m0/s1.
What are the key properties of (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole?
(3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole has a molecular weight of 344.45 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,8aR)-4,8-dimethyl-2,2-diphenyl-4,5,8,8a-tetrahydro-3aH-cyclopenta[f][1,3]benzodioxole is sourced from PubChem (CID 137316250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).