(5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one

C68H93BO9Si — CID 158413749

IUPAC(5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one
SMILESCCC(CC)(c1ccc(OC[C@H]2CCC(=O)O2)c(C)c1)c1ccc(-c2cccc(C(O[Si](C)(C)C)C(C)(C)C)c2)c(C)c1.CCC(CC)(c1ccc(OC[C@H]2CCC(=O)O2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1
InChIInChI=1S/C38H52O4Si.C30H41BO5/c1-11-38(12-2,31-17-20-34(27(4)23-31)40-25-32-18-21-35(39)41-32)30-16-19-33(26(3)22-30)28-14-13-15-29(24-28)36(37(5,6)7)42-43(8,9)10;1-9-30(10-2,23-12-15-26(21(4)18-23)33-19-24-13-16-27(32)34-24)22-11-14-25(20(3)17-22)31-35-28(5,6)29(7,8)36-31/h13-17,19-20,22-24,32,36H,11-12,18,21,25H2,1-10H3;11-12,14-15,17-18,24H,9-10,13,16,19H2,1-8H3/t32-,36?;24-/m11/s1
InChIKeyGZPXSSFPYOQZAJ-BWFPWUBFSA-N
MW1093.38 g/mol
LogP15.89
Rot. Bonds19

About (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one

(5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one (PubChem CID 158413749) has the molecular formula C68H93BO9Si and a molecular weight of 1093.38 g/mol. Its IUPAC name is (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one
PubChem CID158413749
Molecular FormulaC68H93BO9Si
Molecular Weight1093.38 g/mol
Exact Mass1092.67
IUPAC Name(5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one
SMILESCCC(CC)(c1ccc(OC[C@H]2CCC(=O)O2)c(C)c1)c1ccc(-c2cccc(C(O[Si](C)(C)C)C(C)(C)C)c2)c(C)c1.CCC(CC)(c1ccc(OC[C@H]2CCC(=O)O2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1
InChIInChI=1S/C38H52O4Si.C30H41BO5/c1-11-38(12-2,31-17-20-34(27(4)23-31)40-25-32-18-21-35(39)41-32)30-16-19-33(26(3)22-30)28-14-13-15-29(24-28)36(37(5,6)7)42-43(8,9)10;1-9-30(10-2,23-12-15-26(21(4)18-23)33-19-24-13-16-27(32)34-24)22-11-14-25(20(3)17-22)31-35-28(5,6)29(7,8)36-31/h13-17,19-20,22-24,32,36H,11-12,18,21,25H2,1-10H3;11-12,14-15,17-18,24H,9-10,13,16,19H2,1-8H3/t32-,36?;24-/m11/s1
InChIKeyGZPXSSFPYOQZAJ-BWFPWUBFSA-N
XLogP15.89
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.38
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]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 (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one?
The IUPAC name of (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one (CID 158413749) is (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one is CCC(CC)(c1ccc(OC[C@H]2CCC(=O)O2)c(C)c1)c1ccc(-c2cccc(C(O[Si](C)(C)C)C(C)(C)C)c2)c(C)c1.CCC(CC)(c1ccc(OC[C@H]2CCC(=O)O2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1.
What is the InChIKey of (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one?
The InChIKey is GZPXSSFPYOQZAJ-BWFPWUBFSA-N. The full InChI is InChI=1S/C38H52O4Si.C30H41BO5/c1-11-38(12-2,31-17-20-34(27(4)23-31)40-25-32-18-21-35(39)41-32)30-16-19-33(26(3)22-30)28-14-13-15-29(24-28)36(37(5,6)7)42-43(8,9)10;1-9-30(10-2,23-12-15-26(21(4)18-23)33-19-24-13-16-27(32)34-24)22-11-14-25(20(3)17-22)31-35-28(5,6)29(7,8)36-31/h13-17,19-20,22-24,32,36H,11-12,18,21,25H2,1-10H3;11-12,14-15,17-18,24H,9-10,13,16,19H2,1-8H3/t32-,36?;24-/m11/s1.
What are the key properties of (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one?
(5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one has a molecular weight of 1093.38 g/mol, XLogP of 15.89, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[4-[3-[4-[3-(2,2-dimethyl-1-trimethylsilyloxypropyl)phenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]oxolan-2-one;(5R)-5-[[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenoxy]methyl]oxolan-2-one is sourced from PubChem (CID 158413749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).