[(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane

C30H32Si — CID 52937355

IUPAC[(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane
SMILESC=C(c1ccccc1)[C@@]12CCC[C@@H]1CC([Si](C)(C)c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C30H32Si/c1-23(24-14-7-4-8-15-24)30-21-13-18-26(30)22-28(29(30)25-16-9-5-10-17-25)31(2,3)27-19-11-6-12-20-27/h4-12,14-17,19-20,26H,1,13,18,21-22H2,2-3H3/t26-,30+/m1/s1
InChIKeyOAJGZGYPDVPEPP-VIZCGCQYSA-N
MW420.67 g/mol
LogP7.50
Rot. Bonds5

About [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane

[(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane (PubChem CID 52937355) has the molecular formula C30H32Si and a molecular weight of 420.67 g/mol. Its IUPAC name is [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane
PubChem CID52937355
Molecular FormulaC30H32Si
Molecular Weight420.67 g/mol
Exact Mass420.23
IUPAC Name[(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane
SMILESC=C(c1ccccc1)[C@@]12CCC[C@@H]1CC([Si](C)(C)c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C30H32Si/c1-23(24-14-7-4-8-15-24)30-21-13-18-26(30)22-28(29(30)25-16-9-5-10-17-25)31(2,3)27-19-11-6-12-20-27/h4-12,14-17,19-20,26H,1,13,18,21-22H2,2-3H3/t26-,30+/m1/s1
InChIKeyOAJGZGYPDVPEPP-VIZCGCQYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane 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 [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane (CID 52937355) is [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane is C=C(c1ccccc1)[C@@]12CCC[C@@H]1CC([Si](C)(C)c1ccccc1)=C2c1ccccc1.
What is the InChIKey of [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane?
The InChIKey is OAJGZGYPDVPEPP-VIZCGCQYSA-N. The full InChI is InChI=1S/C30H32Si/c1-23(24-14-7-4-8-15-24)30-21-13-18-26(30)22-28(29(30)25-16-9-5-10-17-25)31(2,3)27-19-11-6-12-20-27/h4-12,14-17,19-20,26H,1,13,18,21-22H2,2-3H3/t26-,30+/m1/s1.
What are the key properties of [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane?
[(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane has a molecular weight of 420.67 g/mol, XLogP of 7.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3-phenyl-3a-(1-phenylethenyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 52937355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).