methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate

C40H58O3Si — CID 176587327

IUPACmethyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
SMILESCCC(C)CC(CC(CC(C)C(=O)OC)(c1ccccc1)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C40H58O3Si/c1-10-31(2)28-35(34-19-13-11-14-20-34)30-40(29-32(3)38(41)42-7,36-21-15-12-16-22-36)37-25-23-33(24-26-37)18-17-27-43-44(8,9)39(4,5)6/h11-16,19-26,31-32,35H,10,17-18,27-30H2,1-9H3
InChIKeyLNJXKCIVIIUMEK-UHFFFAOYSA-N
MW614.99 g/mol
LogP10.74
Rot. Bonds16

About methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate

methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate (PubChem CID 176587327) has the molecular formula C40H58O3Si and a molecular weight of 614.99 g/mol. Its IUPAC name is methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate.

Molecular Properties

Compound Namemethyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
PubChem CID176587327
Molecular FormulaC40H58O3Si
Molecular Weight614.99 g/mol
Exact Mass614.42
IUPAC Namemethyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
SMILESCCC(C)CC(CC(CC(C)C(=O)OC)(c1ccccc1)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C40H58O3Si/c1-10-31(2)28-35(34-19-13-11-14-20-34)30-40(29-32(3)38(41)42-7,36-21-15-12-16-22-36)37-25-23-33(24-26-37)18-17-27-43-44(8,9)39(4,5)6/h11-16,19-26,31-32,35H,10,17-18,27-30H2,1-9H3
InChIKeyLNJXKCIVIIUMEK-UHFFFAOYSA-N
XLogP10.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.99
LogP ≤ 510.74
H-Bond Donors ≤ 50
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 methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate with MolForge

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Related Compounds

methyl 4,4-bis[3-[3-[tert-butyl(dimethyl)silyl]oxypropoxymethyl]phenyl]-2,8-dimethyl-6-phenyldecanoate
CID 176587333
methyl 4-[4-(3-hydroxypropyl)phenyl]-2,8-dimethyl-4,6-diphenyldecanoate
CID 176587316
methyl 4-(4-fluorophenyl)-4-[4-(10-hydroxydecoxy)phenyl]-2,8-dimethyl-6-phenyldecanoate
CID 176587304
5-O-butyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate
CID 158276501
5-O-ethyl 1-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;methane;decakis(2-methoxyethanol);methyl 2,8-dimethyl-4,4,6-triphenyldecanoate;pentakis(propan-2-ol);titanium
CID 161400095
methyl 4-(4-diethoxyphosphorylphenyl)-2,6-dimethyl-4-phenyloctanoate
CID 170659344
lithium;1-O-[2-hydroxy-3-(trimethylsilylmethylsulfanyl)propyl] 5-O-methyl 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;5-O-methyl 1-O-(oxiran-2-ylmethyl) 2,4-dimethyl-2-(6-methyl-2,2,4-triphenyloctyl)pentanedioate;trimethylsilylmethanethiol;hydroxide
CID 163931588
(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
CID 158429198
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
1-tert-butyl-4-(3-methyl-7,7-diphenyldec-9-yn-5-yl)benzene
CID 161058351

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate?
The IUPAC name of methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate (CID 176587327) is methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate.
What is the SMILES notation for methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate?
The canonical SMILES for methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate is CCC(C)CC(CC(CC(C)C(=O)OC)(c1ccccc1)c1ccc(CCCO[Si](C)(C)C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate?
The InChIKey is LNJXKCIVIIUMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H58O3Si/c1-10-31(2)28-35(34-19-13-11-14-20-34)30-40(29-32(3)38(41)42-7,36-21-15-12-16-22-36)37-25-23-33(24-26-37)18-17-27-43-44(8,9)39(4,5)6/h11-16,19-26,31-32,35H,10,17-18,27-30H2,1-9H3.
What are the key properties of methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate?
methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate has a molecular weight of 614.99 g/mol, XLogP of 10.74, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl]-2,8-dimethyl-4,6-diphenyldecanoate is sourced from PubChem (CID 176587327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).