3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate

C16H34O8Si — CID 23594393

IUPAC3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
SMILESCOCCOCC(CC(C)C(=O)OCCC[Si](OC)(OC)OC)OC
InChIInChI=1S/C16H34O8Si/c1-14(12-15(19-3)13-23-10-9-18-2)16(17)24-8-7-11-25(20-4,21-5)22-6/h14-15H,7-13H2,1-6H3
InChIKeyZDQSWSQBYIUBLM-UHFFFAOYSA-N
MW382.53 g/mol
LogP1.50
Rot. Bonds16

About 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate

3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate (PubChem CID 23594393) has the molecular formula C16H34O8Si and a molecular weight of 382.53 g/mol. Its IUPAC name is 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate.

Molecular Properties

Compound Name3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
PubChem CID23594393
Molecular FormulaC16H34O8Si
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate
SMILESCOCCOCC(CC(C)C(=O)OCCC[Si](OC)(OC)OC)OC
InChIInChI=1S/C16H34O8Si/c1-14(12-15(19-3)13-23-10-9-18-2)16(17)24-8-7-11-25(20-4,21-5)22-6/h14-15H,7-13H2,1-6H3
InChIKeyZDQSWSQBYIUBLM-UHFFFAOYSA-N
XLogP1.50
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 25108327
3-[Hydroxy(dimethoxy)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 21136752
3-[[3-(4-Ethoxy-2-methyl-5-propoxypentanoyl)oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527397
3-[Hydroxy(dimethyl)silyl]propyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527398
3-Trimethylsilylpropyl 4-ethoxy-2-methyl-5-propoxypentanoate
CID 23527399
[1-Methoxy-5-(1-methoxypropan-2-yloxy)-4-methyl-5-oxopentan-2-yl] 5-methoxy-2-methyl-4-(2-methylpropanoyloxy)pentanoate
CID 126725725
Propan-2-yl 5-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-4-methylpentanoate
CID 156726810
Propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
methyl (4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentanoate
CID 102361488

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
The IUPAC name of 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate (CID 23594393) is 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate.
What is the SMILES notation for 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
The canonical SMILES for 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate is COCCOCC(CC(C)C(=O)OCCC[Si](OC)(OC)OC)OC.
What is the InChIKey of 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
The InChIKey is ZDQSWSQBYIUBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O8Si/c1-14(12-15(19-3)13-23-10-9-18-2)16(17)24-8-7-11-25(20-4,21-5)22-6/h14-15H,7-13H2,1-6H3.
What are the key properties of 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate?
3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate has a molecular weight of 382.53 g/mol, XLogP of 1.50, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropyl 4-methoxy-5-(2-methoxyethoxy)-2-methylpentanoate is sourced from PubChem (CID 23594393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).