[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate

C30H62O10S2Si2 — CID 59620749

IUPAC[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
SMILESCCO[Si](CCCSC(C)(C)C(=O)OCC(C)COC(=O)C(C)(C)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C30H62O10S2Si2/c1-12-35-43(36-13-2,37-14-3)22-18-20-41-29(8,9)27(31)33-24-26(7)25-34-28(32)30(10,11)42-21-19-23-44(38-15-4,39-16-5)40-17-6/h26H,12-25H2,1-11H3
InChIKeyPXJZGZWUWCNSTI-UHFFFAOYSA-N
MW703.12 g/mol
LogP6.61
Rot. Bonds28

About [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate

[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate (PubChem CID 59620749) has the molecular formula C30H62O10S2Si2 and a molecular weight of 703.12 g/mol. Its IUPAC name is [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate.

Molecular Properties

Compound Name[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
PubChem CID59620749
Molecular FormulaC30H62O10S2Si2
Molecular Weight703.12 g/mol
Exact Mass702.33
IUPAC Name[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
SMILESCCO[Si](CCCSC(C)(C)C(=O)OCC(C)COC(=O)C(C)(C)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C30H62O10S2Si2/c1-12-35-43(36-13-2,37-14-3)22-18-20-41-29(8,9)27(31)33-24-26(7)25-34-28(32)30(10,11)42-21-19-23-44(38-15-4,39-16-5)40-17-6/h26H,12-25H2,1-11H3
InChIKeyPXJZGZWUWCNSTI-UHFFFAOYSA-N
XLogP6.61
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.12
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate 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

3,7-dimethyloctyl 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59620737
[4-[2-[4-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxyphenyl]propan-2-yl]phenyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59620724
ethyl 2-(3-cyanopropylsulfanyl)-2-methylpropanoate
CID 82531210
S-(3-triethoxysilylpropyl) 2-bromo-2-methylpropanethioate
CID 59620759
11-(3-triethoxysilylpropylsulfanyl)undecyl 2-bromo-2-methylpropanoate
CID 123688738
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
tert-butyl 3-methyl-4-oxo-4-(3-triethoxysilylpropylsulfanyl)butanoate
CID 158093631
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527
ethyl 4-(3-triethoxysilylpropylsulfanyl)butanoate
CID 59305885
3-[dimethyl(3-triethoxysilylpropylsulfanyl)stannyl]sulfanylpropyl-triethoxysilane
CID 175914772
2,3-bis(3-triethoxysilylpropoxy)propyl 2,2-dimethylbutanoate
CID 58695535

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate?
The IUPAC name of [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate (CID 59620749) is [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate.
What is the SMILES notation for [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate?
The canonical SMILES for [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate is CCO[Si](CCCSC(C)(C)C(=O)OCC(C)COC(=O)C(C)(C)SCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate?
The InChIKey is PXJZGZWUWCNSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62O10S2Si2/c1-12-35-43(36-13-2,37-14-3)22-18-20-41-29(8,9)27(31)33-24-26(7)25-34-28(32)30(10,11)42-21-19-23-44(38-15-4,39-16-5)40-17-6/h26H,12-25H2,1-11H3.
What are the key properties of [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate?
[2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate has a molecular weight of 703.12 g/mol, XLogP of 6.61, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-[2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoyl]oxypropyl] 2-methyl-2-(3-triethoxysilylpropylsulfanyl)propanoate is sourced from PubChem (CID 59620749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).