(3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one

C40H56O3Si — CID 151995415

IUPAC(3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one
SMILESCCC(CC)(c1ccc(CCC[C@@H]2CCOC2=O)c(C)c1)c1ccc(-c2cccc(C(O[Si](C)(C)C)C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C40H56O3Si/c1-11-40(12-2,34-20-19-30(28(3)25-34)15-13-16-31-23-24-42-38(31)41)35-21-22-36(29(4)26-35)32-17-14-18-33(27-32)37(39(5,6)7)43-44(8,9)10/h14,17-22,25-27,31,37H,11-13,15-16,23-24H2,1-10H3/t31-,37?/m1/s1
InChIKeyUFOCRQCIUJBNRV-XWIDTHKNSA-N
MW612.97 g/mol
LogP10.90
Rot. Bonds12

About (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one

(3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one (PubChem CID 151995415) has the molecular formula C40H56O3Si and a molecular weight of 612.97 g/mol. Its IUPAC name is (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one
PubChem CID151995415
Molecular FormulaC40H56O3Si
Molecular Weight612.97 g/mol
Exact Mass612.40
IUPAC Name(3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one
SMILESCCC(CC)(c1ccc(CCC[C@@H]2CCOC2=O)c(C)c1)c1ccc(-c2cccc(C(O[Si](C)(C)C)C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C40H56O3Si/c1-11-40(12-2,34-20-19-30(28(3)25-34)15-13-16-31-23-24-42-38(31)41)35-21-22-36(29(4)26-35)32-17-14-18-33(27-32)37(39(5,6)7)43-44(8,9)10/h14,17-22,25-27,31,37H,11-13,15-16,23-24H2,1-10H3/t31-,37?/m1/s1
InChIKeyUFOCRQCIUJBNRV-XWIDTHKNSA-N
XLogP10.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.97
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one 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 (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one?
The IUPAC name of (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one (CID 151995415) is (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one is CCC(CC)(c1ccc(CCC[C@@H]2CCOC2=O)c(C)c1)c1ccc(-c2cccc(C(O[Si](C)(C)C)C(C)(C)C)c2)c(C)c1.
What is the InChIKey of (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one?
The InChIKey is UFOCRQCIUJBNRV-XWIDTHKNSA-N. The full InChI is InChI=1S/C40H56O3Si/c1-11-40(12-2,34-20-19-30(28(3)25-34)15-13-16-31-23-24-42-38(31)41)35-21-22-36(29(4)26-35)32-17-14-18-33(27-32)37(39(5,6)7)43-44(8,9)10/h14,17-22,25-27,31,37H,11-13,15-16,23-24H2,1-10H3/t31-,37?/m1/s1.
What are the key properties of (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one?
(3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one has a molecular weight of 612.97 g/mol, XLogP of 10.90, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]propyl]oxolan-2-one is sourced from PubChem (CID 151995415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).