4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid

C34H48O4Si2 — CID 19972164

IUPAC4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid
SMILESCCCCCc1ccc(-c2ccc(-c3cc(OCCCCC[Si](C)(C)O[Si](C)(C)C)ccc3C(=O)O)cc2)cc1
InChIInChI=1S/C34H48O4Si2/c1-7-8-10-13-27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-26-31(22-23-32(33)34(35)36)37-24-11-9-12-25-40(5,6)38-39(2,3)4/h14-23,26H,7-13,24-25H2,1-6H3,(H,35,36)
InChIKeyUBKSGLAFDADWCO-UHFFFAOYSA-N
MW576.93 g/mol
LogP10.06
Rot. Bonds16

About 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid

4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid (PubChem CID 19972164) has the molecular formula C34H48O4Si2 and a molecular weight of 576.93 g/mol. Its IUPAC name is 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid
PubChem CID19972164
Molecular FormulaC34H48O4Si2
Molecular Weight576.93 g/mol
Exact Mass576.31
IUPAC Name4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid
SMILESCCCCCc1ccc(-c2ccc(-c3cc(OCCCCC[Si](C)(C)O[Si](C)(C)C)ccc3C(=O)O)cc2)cc1
InChIInChI=1S/C34H48O4Si2/c1-7-8-10-13-27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-26-31(22-23-32(33)34(35)36)37-24-11-9-12-25-40(5,6)38-39(2,3)4/h14-23,26H,7-13,24-25H2,1-6H3,(H,35,36)
InChIKeyUBKSGLAFDADWCO-UHFFFAOYSA-N
XLogP10.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.93
LogP ≤ 510.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-pentoxy-2-(4-pentylphenyl)benzoic acid
CID 67863047
2-(4-butoxyphenyl)-4-hexoxybenzoic acid
CID 70214370
4-[2-[4-[4-[[dimethyl(phenyl)silyl]methyl-dimethylsilyl]butyl]phenyl]ethyl]-2-(4-octoxyphenyl)benzoic acid
CID 67784455
2-[4-(4-butylphenyl)phenyl]-4-(difluoromethoxy)benzoic acid
CID 67865739
2-[4-(2-carboxylato-5-heptoxyphenyl)phenyl]-4-heptoxybenzoate
CID 57357640
2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]-4-undecoxybenzoic acid
CID 172773419
4-dodecoxy-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172765540
4-[4-[(2S)-6-[dimethyl(trimethylsilyloxy)silyl]hexan-2-yl]oxy-3-nitrododecyl]-2-(4-phenylphenyl)benzoic acid
CID 68583662
4-(4-nonylphenoxy)carbonyl-3-(4-nonylphenyl)benzoic acid
CID 135326379
4-decoxy-2-[4-[3-(4-propylcyclohexyl)propoxy]phenyl]benzoic acid
CID 172861784
2-[4-(2-methyloctanoyl)phenyl]-4-octoxybenzoic acid
CID 67915078
2-[4-(4-cyanophenyl)phenyl]-4-[3-[ethoxy(dimethyl)silyl]propoxy]benzoic acid
CID 54066220

Frequently Asked Questions

What is the IUPAC name of 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid?
The IUPAC name of 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid (CID 19972164) is 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid?
The canonical SMILES for 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid is CCCCCc1ccc(-c2ccc(-c3cc(OCCCCC[Si](C)(C)O[Si](C)(C)C)ccc3C(=O)O)cc2)cc1.
What is the InChIKey of 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid?
The InChIKey is UBKSGLAFDADWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48O4Si2/c1-7-8-10-13-27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-26-31(22-23-32(33)34(35)36)37-24-11-9-12-25-40(5,6)38-39(2,3)4/h14-23,26H,7-13,24-25H2,1-6H3,(H,35,36).
What are the key properties of 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid?
4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid has a molecular weight of 576.93 g/mol, XLogP of 10.06, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[dimethyl(trimethylsilyloxy)silyl]pentoxy]-2-[4-(4-pentylphenyl)phenyl]benzoic acid is sourced from PubChem (CID 19972164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).