(1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene

C24H26 — CID 15537109

IUPAC(1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene
SMILESCC1(C)[C@@H]2C(c3ccccc3)=C[C@@H]3C(C)(C)[C@@]3(c3ccccc3)[C@@H]21
InChIInChI=1S/C24H26/c1-22(2)20-18(16-11-7-5-8-12-16)15-19-23(3,4)24(19,21(20)22)17-13-9-6-10-14-17/h5-15,19-21H,1-4H3/t19-,20-,21+,24-/m1/s1
InChIKeyRNMLCEKGWYKIDE-IUBSTNSRSA-N
MW314.47 g/mol
LogP5.95
Rot. Bonds2

About (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene

(1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene (PubChem CID 15537109) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene.

Molecular Properties

Compound Name(1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene
PubChem CID15537109
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name(1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene
SMILESCC1(C)[C@@H]2C(c3ccccc3)=C[C@@H]3C(C)(C)[C@@]3(c3ccccc3)[C@@H]21
InChIInChI=1S/C24H26/c1-22(2)20-18(16-11-7-5-8-12-16)15-19-23(3,4)24(19,21(20)22)17-13-9-6-10-14-17/h5-15,19-21H,1-4H3/t19-,20-,21+,24-/m1/s1
InChIKeyRNMLCEKGWYKIDE-IUBSTNSRSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene?
The IUPAC name of (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene (CID 15537109) is (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene.
What is the SMILES notation for (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene?
The canonical SMILES for (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene is CC1(C)[C@@H]2C(c3ccccc3)=C[C@@H]3C(C)(C)[C@@]3(c3ccccc3)[C@@H]21.
What is the InChIKey of (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene?
The InChIKey is RNMLCEKGWYKIDE-IUBSTNSRSA-N. The full InChI is InChI=1S/C24H26/c1-22(2)20-18(16-11-7-5-8-12-16)15-19-23(3,4)24(19,21(20)22)17-13-9-6-10-14-17/h5-15,19-21H,1-4H3/t19-,20-,21+,24-/m1/s1.
What are the key properties of (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene?
(1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene has a molecular weight of 314.47 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,7R)-3,3,8,8-tetramethyl-1,5-diphenyltricyclo[5.1.0.02,4]oct-5-ene is sourced from PubChem (CID 15537109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).