(5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine

C23H24O2 — CID 102386619

IUPAC(5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine
SMILESCC1COC2=C(c3ccccc3)[C@H]3CCC[C@H]3[C@@]2(c2ccccc2)O1
InChIInChI=1S/C23H24O2/c1-16-15-24-22-21(17-9-4-2-5-10-17)19-13-8-14-20(19)23(22,25-16)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3/t16?,19-,20+,23+/m0/s1
InChIKeyFELRPDTZLZRDOP-GDBPIYEPSA-N
MW332.44 g/mol
LogP5.16
Rot. Bonds2

About (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine

(5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine (PubChem CID 102386619) has the molecular formula C23H24O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine.

Molecular Properties

Compound Name(5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine
PubChem CID102386619
Molecular FormulaC23H24O2
Molecular Weight332.44 g/mol
Exact Mass332.18
IUPAC Name(5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine
SMILESCC1COC2=C(c3ccccc3)[C@H]3CCC[C@H]3[C@@]2(c2ccccc2)O1
InChIInChI=1S/C23H24O2/c1-16-15-24-22-21(17-9-4-2-5-10-17)19-13-8-14-20(19)23(22,25-16)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3/t16?,19-,20+,23+/m0/s1
InChIKeyFELRPDTZLZRDOP-GDBPIYEPSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.44
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine with MolForge

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Related Compounds

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(3aS)-1-methyl-3,3-diphenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]oxaborole
CID 58662964
1,1'-biphenyl;2-methyloxirane
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CID 59885970
3,4-dimethyl-2,2-diphenyloxetane
CID 14290990
(3aR,8aR)-N,N-dimethyl-4,4,8,8-tetraphenylspiro[3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine-2,1'-cyclopentane]-6-amine
CID 58583038
(2S,5S)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one;(2R,5R)-5-cyclohexyl-2-methyl-5-phenyl-1,3-dioxolan-4-one;methane
CID 158370028
(3aR,4S,8bS)-4-methyl-4-phenyl-2,3,3a,5,6,7,8,8b-octahydro-1H-cyclopenta[a]indene
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3,3-diphenyl-1,4-dioxaspiro[4.4]nonan-2-ol
CID 67848776
(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
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Frequently Asked Questions

What is the IUPAC name of (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine?
The IUPAC name of (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine (CID 102386619) is (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine.
What is the SMILES notation for (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine?
The canonical SMILES for (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine is CC1COC2=C(c3ccccc3)[C@H]3CCC[C@H]3[C@@]2(c2ccccc2)O1.
What is the InChIKey of (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine?
The InChIKey is FELRPDTZLZRDOP-GDBPIYEPSA-N. The full InChI is InChI=1S/C23H24O2/c1-16-15-24-22-21(17-9-4-2-5-10-17)19-13-8-14-20(19)23(22,25-16)18-11-6-3-7-12-18/h2-7,9-12,16,19-20H,8,13-15H2,1H3/t16?,19-,20+,23+/m0/s1.
What are the key properties of (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine?
(5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine has a molecular weight of 332.44 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5aS,8aR,8bS)-2-methyl-5,8b-diphenyl-3,5a,6,7,8,8a-hexahydro-2H-pentaleno[1,2-b][1,4]dioxine is sourced from PubChem (CID 102386619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).