2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate

C18H38O5Si2 — CID 161472912

IUPAC2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate
SMILESCOCCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(C)=O
InChIInChI=1S/C18H38O5Si2/c1-17(19)11-7-9-15-24(3,4)23-25(5,6)16-10-8-12-18(20)22-14-13-21-2/h7-16H2,1-6H3
InChIKeyDWERPPAKDKBPJZ-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.53
Rot. Bonds15

About 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate

2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate (PubChem CID 161472912) has the molecular formula C18H38O5Si2 and a molecular weight of 390.67 g/mol. Its IUPAC name is 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate.

Molecular Properties

Compound Name2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate
PubChem CID161472912
Molecular FormulaC18H38O5Si2
Molecular Weight390.67 g/mol
Exact Mass390.23
IUPAC Name2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate
SMILESCOCCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(C)=O
InChIInChI=1S/C18H38O5Si2/c1-17(19)11-7-9-15-24(3,4)23-25(5,6)16-10-8-12-18(20)22-14-13-21-2/h7-16H2,1-6H3
InChIKeyDWERPPAKDKBPJZ-UHFFFAOYSA-N
XLogP4.53
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

4-methoxybutyl 5-oxohexanoate
CID 162425985
2-methoxyethyl 5-methoxypentanoate
CID 58454735
2-methoxyethyl 4-trimethoxysilylbutanoate
CID 58986420
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
CID 158841487
2-methoxyethyl 18-acetyloxyoctadecanoate
CID 22678997
2-methoxyethyl 18-hydroxyoctadecanoate
CID 54055898
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
2-methoxyethyl octanoate
CID 14009347
3-[5-[dimethoxy(methyl)silyl]pentanoyloxy]propyl 5-[dimethoxy(methyl)silyl]pentanoate
CID 167678017
2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
CID 118889300
2-(3-trimethylsilylpropoxy)ethyl 6-methoxyhexanoate
CID 177065450
17-methoxyheptadecan-2-one
CID 59530855

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate?
The IUPAC name of 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate (CID 161472912) is 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate.
What is the SMILES notation for 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate?
The canonical SMILES for 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate is COCCOC(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(C)=O.
What is the InChIKey of 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate?
The InChIKey is DWERPPAKDKBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O5Si2/c1-17(19)11-7-9-15-24(3,4)23-25(5,6)16-10-8-12-18(20)22-14-13-21-2/h7-16H2,1-6H3.
What are the key properties of 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate?
2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate has a molecular weight of 390.67 g/mol, XLogP of 4.53, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-[[dimethyl(5-oxohexyl)silyl]oxy-dimethylsilyl]pentanoate is sourced from PubChem (CID 161472912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).