2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate

C17H36O6Si — CID 160702926

IUPAC2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
SMILESCCO[Si](CCCCCC(C)C(=O)OCCOC)(OCC)OCC
InChIInChI=1S/C17H36O6Si/c1-6-21-24(22-7-2,23-8-3)15-11-9-10-12-16(4)17(18)20-14-13-19-5/h16H,6-15H2,1-5H3
InChIKeyKWXFUNNPHNRHNT-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.42
Rot. Bonds16

About 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate

2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate (PubChem CID 160702926) has the molecular formula C17H36O6Si and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate.

Molecular Properties

Compound Name2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
PubChem CID160702926
Molecular FormulaC17H36O6Si
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate
SMILESCCO[Si](CCCCCC(C)C(=O)OCCOC)(OCC)OCC
InChIInChI=1S/C17H36O6Si/c1-6-21-24(22-7-2,23-8-3)15-11-9-10-12-16(4)17(18)20-14-13-19-5/h16H,6-15H2,1-5H3
InChIKeyKWXFUNNPHNRHNT-UHFFFAOYSA-N
XLogP3.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
4,6-dimethyl-1,9-bis(triethoxysilyl)nonan-5-one
CID 87593623
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
4-[2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoyl]oxybutyl 2-methyl-3-(3-triethoxysilylpropylsulfanyl)propanoate
CID 59305878
triethoxy(3-methoxypropyl)silane
CID 22712922
dodecyl 2-methyltetradecanoate
CID 88541423
hexyl 2-methyldodecanoate
CID 174392697
butyl 2-methyloctanoate
CID 54180722
6,8-dimethyl-1,13-bis(trimethoxysilyl)tridecan-7-one
CID 87595275
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
2-dodecoxyethyl 2-methyl-3-(3-triethoxysilylpropylamino)propanoate
CID 59782817
1,17-bis[diethoxy(methyl)silyl]-8,10-dimethylheptadecan-9-one
CID 87593412

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate?
The IUPAC name of 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate (CID 160702926) is 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate.
What is the SMILES notation for 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate?
The canonical SMILES for 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate is CCO[Si](CCCCCC(C)C(=O)OCCOC)(OCC)OCC.
What is the InChIKey of 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate?
The InChIKey is KWXFUNNPHNRHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O6Si/c1-6-21-24(22-7-2,23-8-3)15-11-9-10-12-16(4)17(18)20-14-13-19-5/h16H,6-15H2,1-5H3.
What are the key properties of 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate?
2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate has a molecular weight of 364.56 g/mol, XLogP of 3.42, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-methyl-7-triethoxysilylheptanoate is sourced from PubChem (CID 160702926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).